Dr Louis Farrugia

Louis Farrugia
  • Reader (Chemistry)

telephone: 01413305137
email: Louis.Farrugia@glasgow.ac.uk

RA436 Level A4
Chemistry
Joseph Black Building
Glasgow G12 8QQ


Research Interests

Experimental Charge Density
Chemical Crystallography

More details are available on the personal Research Pages.

Research Topics

Experimental charge density studies on transition metal complexes
Structural studies on Hydrogen-bonding
Small molecule computational crystallography

Publication Highlights

L. J. Farrugia and C. Evans (2005) J. Phys Chem A, 109, 8834-8848."Experimental X-Ray Charge Density Studies on the Binary Carbonyls Cr(CO)6, Fe(CO)5 and Ni(CO)4."

L. J. Farrugia, C. Evans and M. Tegel (2006) J. Phys Chem A, 110, 7952-7961."Chemical Bonds Without Chemical Bonding ? : A Charge Density Study on an Iron Trimethylenemethane Complex."

L. J. Farrugia, D. S. Middlemiss, R. Sillanpää, P. Seppälä (2008) J. Phys. Chem. A 112, 9050-9067. "A Combined Experimental and Theoretical Charge Density Study of the Chemical Bonding and Magnetism in 3-Amino-propanolato Cu(II) Complexes Containing Weakly Coordinated Anions."

L. J. Farrugia, C. Evans, D. Lentz , M. Roemer. (2009) J. Am. Chem. Soc. 131, 1251-1268. "The QTAIM Approach to Chemical Bonding Between Transition Metals and Carbocyclic Rings: A Combined Experimental and Theoretical Study."

L. J. Farrugia and P. Macchi. (2009) J. Phys. Chem. A 113, 10058-10067. "On the Interpretation of the Source Function."

List all by: Type | Date

Jump to: 2014 | 2013 | 2012 | 2011 | 2010 | 2009 | 2008 | 2007 | 2006 | 2005 | 2004 | 2003 | 2002 | 2001
Number of items: 61.

2014

Clark, J. S., Delion, L., and Farrugia, L. J. (2014) Total synthesis of the purported structure of sclerophytin F. Organic Letters, 16 (16). pp. 4300-4303. ISSN 1523-7060 (doi:10.1021/ol5020152)

Sovago, I., Gutmann, M. J., Hill, J. G., Senn, H. M., Thomas, L. H., Wilson, C. C., and Farrugia, L. J. (2014) Experimental electron density and neutron diffraction studies on the polymorphs of sulfathiazole. Crystal Growth and Design, 14 (3). pp. 1227-1239. ISSN 1528-7483 (doi:10.1021/cg401757z)

2013

Grafton, M. W., Farrugia, L. J., and Sutherland, A. (2013) Synthesis of amino substituted indanes and tetralins via consecutive multi-bond forming tandem processes. Journal of Organic Chemistry, 78 (14). pp. 7199-7207. ISSN 0022-3263 (doi:10.1021/jo401182r)

Clark, J.S., Berger, R., Hayes, S.T., Senn, H.M., Farrugia, L.J., Thomas, L.H., Morrison, A.J., and Gobbi, L. (2013) Total syntheses of multiple cladiellin natural products by use of a completely general strategy. Journal of Organic Chemistry, 78 (2). pp. 673-696. ISSN 0022-3263 (doi:10.1021/jo302542h)

2012

Malkov, A.V., Barłóg, M., Miller-Potucká, L., Kabeshov, M.A., Farrugia, L.J., and Kocovsky, P. (2012) Stereoselective palladium-catalyzed functionalization of homoallylic alcohols: a convenient synthesis of di- and trisubstituted isoxazolidines and β-amino-δ-hydroxy esters. Chemistry: A European Journal, 18 (22). pp. 6873-6884. ISSN 0947-6539 (doi:10.1002/chem.201102716)

Ahmad, S., Swift, M., Farrugia, L., Senn, H.M., and Sutherland, A. (2012) Stereoselective synthesis of functionalised carbocyclic amides: construction of the syn-(4aS,10bS)-phenanthridone skeleton. Organic and Biomolecular Chemistry, 10 (19). pp. 3937-3945. ISSN 1477-0520 (doi:10.1039/C2OB25334H)

Farrugia, L.J., and Senn, H.M. (2012) On the unusual weak intramolecular C...C interactions in Ru3(CO)12: a case of bond path artefacts introduced by the multipole model? Journal of Physical Chemistry A, 116 (1). pp. 738-746. ISSN 1089-5639 (doi:10.1021/jp2100039)

Callison, J., Betzler, F., de Cuba, K., van der Borden, W., van der Velde, K., Carr, R.H., Senn, H.M., Farrugia, L.J., Winfield, J.M., and Lennon, D. (2012) Origin of impurities formed in a polyurethane production chain. Part 2: a route to the formation of coloured impurities. Industrial and Engineering Chemistry Research, 51 (34). pp. 11021-11030. ISSN 0888-5885 (doi:10.1021/ie300987v)

Farrugia, L.J., Evans, C., Senn, H.M., Hänninen, M.M., and Sillanpaa, R. (2012) QTAIM view of metal–metal bonding in di- and trinuclear disulfido carbonyl clusters. Organometallics, 31 (7). pp. 2559-2570. ISSN 0276-7333 (doi:10.1021/om2011744)

Farrugia, L.J., Gall, J.H., and MacNicol, D.D. (2012) 1,2,4,5-Tetrakis(phenylsulfonyl)benzene: a novel quadruped host with D2 symmetry having ordered sulfolane and cycloheptanone guests. Chemical Communications, 48 (86). pp. 10600-10602. ISSN 1359-7345 (doi:10.1039/c2cc35647c)

Grafton, M.W., Farrugia, L.J., Senn, H.M., and Sutherland, A. (2012) Discovery of a multi-bond forming, four-step tandem process: construction of drug-like polycyclic scaffolds. Chemical Communications, 48 . pp. 7994-7996. ISSN 1359-7345 (doi:10.1039/c2cc33649a)

Malkov, A.V., Barłóg, M., Miller-Potucká, L., Kabeshov, M.A., Farrugia, L.J., and Kočovský, P. (2012) Stereoselective palladium-catalyzed functionalization of homoallylic alcohols: a convenient synthesis of Di- and tri-substituted isoxazolidines and β-Amino-δ-hydroxy esters. Chemistry: A European Journal, 18 (22). pp. 6873-6884. ISSN 0947-6539 (doi:10.1002/chem.201102716)

2011

Farrugia, L.J., and Khalaji, A.D. (2011) Evidence for side-chain π-delocalization in a planar substituted benzene: an experimental and theoretical charge density study on 2,5-dimethoxybenzaldehyde thiosemicarbazone. Journal of Physical Chemistry A . ISSN 1089-5639 (doi:10.1021/jp2026169)

Farrugia, L.J., and Macchi, P. (2011) Bond orders in metal–metal interactions through electron density analysis. Structure and Bonding, 140 . pp. 1-32. ISSN 0081-5993 (doi:10.1007/430_2010_30)

Flierler, U., Stalke, D., and Farrugia, L.J. (2011) Chemical information from charge densities. In: Gatti, C. and Macchi, P. (eds.) Modern Charge Density Methods. Springer. ISBN 9789048138357

2010

Farrugia, L.J., and Senn, H.M. (2010) Metal−metal and metal−ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(μ-H)(μ-COMe)(CO)10. Journal of Physical Chemistry A, 114 (51). pp. 13418-13433. ISSN 1089-5639 (doi:10.1021/jp1098624)

Farrugia, L.J., Gall, J.H., MacNicol, D.D., and MacSween, R. (2010) The first members of the octasubstituted naphthalene spider-host series with type I (abababab) conformation: gateway to new nano-host gas storage materials. Chemical Communications, 46 (29). pp. 5241-5243. ISSN 1359-7345 (doi:10.1039/c0cc00655f)

2009

Schmidtmann, M., Farrugia, L.J., Middlemiss, D.S., Gutmann, M.J., McIntyre, G.J., and Wilson, C.C. (2009) Experimental and theoretical charge density study of polymorphic isonicotinamide−oxalic acid molecular complexes with strong O···H···N hydrogen bonds. Journal of Physical Chemistry A, 113 (50). pp. 13985-13997. ISSN 1089-5639 (doi:10.1021/jp9067813)

Farrugia, L.J., Kocovsky, P., Senn, H.M., and Vyskocil, S. (2009) Weak intra- and intermolecular interactions in a binaphthol imine: an experimental charge density study on (±)-8'benzhydrylideneamino-1,1'-binaphthyl-2-ol. Acta Crystallographica. Section B: Structural Science, B65 (6). pp. 757-769. ISSN 0108-7681 (doi:10.1107/S010876810903273X)

Caldwell, S. T., Farrugia, L. J., Hewage, S. G., Kryvokhyzha, N., Rotello, V. M., and Cooke, G. (2009) Model systems for flavoenzyme activity: an investigation of the role functionality attached to the C(7) position of the flavin unit has on redox and molecular recognition properties. Chemical Communications (11). pp. 1350-1352. ISSN 1359-7345 (doi:10.1039/b900269n)

Farrugia, L. J., and Macchi, P. (2009) On the Interpretation of the Source Function. Journal of Physical Chemistry A, 113 (37). pp. 10058-10067. ISSN 1089-5639 (doi:10.1021/jp9036588)

Farrugia, L.J., Evans, C., Lentz, D., and Roemer, M. (2009) The QTAIM approach to chemical bonding between transition metals and carbocyclic rings: a combined experimental and theoretical study of (η5-C5H5)Mn(CO)3, (η6-C6H6)Cr(CO)3, and (E)-{(η5-C5H4)CF=CF(η5-C5H4)}(η5-C5H5)2Fe2. Journal of the American Chemical Society, 131 (3). pp. 1251-1268. ISSN 0002-7863 (doi:10.1021/ja808303j)

2008

Farrugia, L.J., Middlemiss, D.S., Sillanpaa, R., and Seppala, P. (2008) A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions. Journal of Physical Chemistry A, 112 (38). pp. 9050-9067. ISSN 1089-5639 (doi:10.1021/jp804865j)

2007

Farrugia, L. (2007) Sodium tungstate dihydrate: a redetermination. Acta Crystallographica. Section E: Structure Reports Online, 63 . I142-U13. ISSN 1600-5368 (doi:10.1107/s1600536807023355)

Farrugia, L., Hartley, R., Calver, A., and Rahman, S. (2007) 5-Bromoanthranil. Acta Crystallographica. Section E: Structure Reports Online, 63 . O2540-O2541. ISSN 1600-5368 (doi:10.1107/S1600536807017278)

Wilson, J., Giordani, F., Farrugia, L., Barrett, M., Robinsa, D., and Sutherland, A. (2007) Synthesis, characterisation and anti-protozoal activity of carbamate-derived polyazamacrocycles. Organic and Biomolecular Chemistry, 5 . pp. 3651-3656. (doi:10.1039/b710487a)

2006

Akam, T., Tane, P., Wabo, H., Yong, J., Fanso-Free, S., Connolly, J., Evans, C., and Farrugia, L. (2006) A pregnane derivative and an anti-plasmodial labdane diterpenoid from the stem bark of Turraenthus africanus. Natural Product Communications, 1 . pp. 449-452.

Caldwell, S., Petersson, H., Farrugia, L., Mullen, W., Crozier, A., and Hartley, R. (2006) Isotopic labelling of quercetin 3-glucoside. Tetrahedron, 62 . pp. 7257-7265. (doi:10.1016/j.tet.2006.05.046)

Evans, C., Farrugia, L., and Tegel, M. (2006) Bis(tert-butyl isocyanide)-1 kappa C-2-di-mu-carbonyl-2 : 3 kappa C-4-octacarbonyl-1 kappa C-2,2 kappa C-3,3 kappa C-3-triangulo-diironosmium. Acta Crystallographica. Section E: Structure Reports Online, 62 . M478-M479. ISSN 1600-5368 (doi:10.1107/S1600536806004247)

Evans, C., Farrugia, L., and Tegel, M. (2006) tert-Butyl isocyanide-1 kappa C-di-mu-carbonyl-2 : 3 kappa C-4-nonacarbonyl-1 kappa C-3, 2 kappa C-3,3 kappa C-3-triangulo-diironosmium. Acta Crystallographica. Section E: Structure Reports Online, 62 . M475-M477. ISSN 1600-5368 (doi:10.1107/S1600536806004235)

Farrugia, L., Evans, C., and Tegel, M. (2006) Chemical bonds without "chemical bonding"? A combined experimental and theoretical charge density study on an iron trimethylenemethane complex. Journal of Physical Chemistry A, 110 . pp. 7952-7961. (doi:10.1021/jp061846d)

Farrugia, L., Frampton, C., Howard, J., Mallinson, P., Peacock, R., Smith, G., and Stewart, B. (2006) Experimental charge-density study on the nickel(II) coordination complex [Ni(H3L)] [NO3][PF6][H3L = N,N ',N ''-tris(2-hydroxy-3-methylbutyl)-1,4,7-triaza-cyclononane]: a reappraisal. Acta Crystallographica. Section B: Structural Science, 62 . pp. 236-244. ISSN 0108-7681 (doi:10.1107/S0108768106000802)

Volkov, A., King, H.F., Coppens, P., and Farrugia, L.J. (2006) On the calculation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model. Acta Crystallographica. Section A: Foundations of Crystallography, 62 . pp. 400-408. ISSN 0108-7673 (doi:10.1107/S0108767306026298)

2005

Farrugia, L. (2005) Is there a Co-Co bond path in Co-2(CO)(6)(mu-CO)(mu-C4H2O2)? Chemical Physics Letters, 414 . pp. 122-126. (doi:10.1016/j.cplett.2005.07.112)

Farrugia, L., and Evans, C. (2005) Experimental X-ray charge density studies on the binary carbonyls Cr(CO)(6), Fe(CO)(5), and Ni(CO)(4). Journal of Physical Chemistry A, 109 . pp. 8834-8848. (doi:10.1021/jp053107n)

Farrugia, L., and Evans, C. (2005) Metal-metal bonding in bridged ligand systems: experimental and theoretical charge densities in Co-3(mu(3)-CX)(CO)(9) (X = H, Cl). Comptes Rendus Chimie, 8 . pp. 1566-1583. (doi:10.1016/j.crci.2004.11.040)

Long, D.L., Kogerler, P., Farrugia, L.J., and Cronin, L. (2005) Reactions of a {Mo-16}-type polyoxometalate cluster with electrophiles: a synthetic, theoretical and magnetic investigation. Dalton Transactions . pp. 1372-1380. (doi:10.1039/b419301f)

Tchimene, M., Tane, P., Ngarnga, D., Connolly, J., and Farrugia, L. (2005) Four tetranortriterpenoids from the stem bark of Khaya anthotheca. Phytochemistry, 66 . pp. 1088-1093. (doi:10.1016/j.phytochem.2005.02.028)

2004

Jawaid, S., Farrugia, L. J., and Robins, D. J. (2004) Asymmetric synthesis of 2-substituted butane-1,4-diols by hydrogenation of homochiral fumaramide derivatives. Tetrahedron: Asymmetry, 15 (24). pp. 3979-3988. ISSN 0957-4166 (doi:10.1016/j.tetasy.2004.11.023)

Ballie, L., Farrugia, L.J., MacNicol, D.D., and MacSween, R. (2004) 2,7-di-p-chlorobenzoylnaphtho[2 ' 3 '-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects. CrystEngComm, 6 (58). pp. 326-327. ISSN 1466-8033 (doi:10.1039/b414315a)

Parker, L., Lacy, S., Farrugia, L., Evans, C., Robins, D., OHare, C., Hartley, J., Jaffar, M., and Stratford, I. (2004) A novel design strategy for stable metal complexes of nitrogen mustards as bioreductive prodrugs. Journal of Medicinal Chemistry, 47 . pp. 5683-5689. (doi:10.1021/jm0449866w)

2003

Long, D.-L., Kögerler, P., Farrugia, L., and Cronin, L. (2003) Restraining symmetry in the formation of small polyoxomolybdates: building blocks of unprecedented topology resulting from "shrink-wrapping" [H2Mo16O52]10--type clusters. Angewandte Chemie (International Edition), 42 (35). pp. 4180-4183. ISSN 1433-7851 (doi:10.1002/anie.200351615)

Long, D.-L., Orr, D., Seeber, G., Kögerler, P., Farrugia, L.J., and Cronin, L. (2003) The missing link in low nuclearity pure polyoxovanadate clusters: preliminary synthesis and structural analysis of a new {V16} cluster and related products: dedicated to professor Achim Müller. Journal of Cluster Science, 14 (3). pp. 313-324. ISSN 1040-7278 (doi:10.1023/B:JOCL.0000005066.92182.90)

Evans, C., and Farrugia, L. (2003) Low temperature redetermination of the structure of [Ni(CO)(eta(5)-C5H5)](2). Acta Crystallographica. Section E: Structure Reports Online, 59 . M510-M511. ISSN 1600-5368 (doi:10.1107/S1600536803012984)

Farrugia, L., Macchi, P., and Sironi, A. (2003) Reversible displacive phase transition in [Ni(en)(3)](2+)(NO3-)(2): a potential temperature calibrant for area-detector diffractometers. Journal of Applied Crystallography, 36 . pp. 141-145. (doi:10.1107/S0021889802021878)

Farrugia, L., Mallinson, P., and Stewart, B. (2003) Experimental charge density in the transition metal complex Mn-2(CO)(10): a comparative study. Acta Crystallographica. Section B: Structural Science, 59 . pp. 234-247. ISSN 0108-7681 (doi:10.1107/S0108768103000892)

Gibson, M., Goodman, J., Farrugia, L., and Hartley, R. (2003) Controlling neighbouring group participation from thioacetals. Tetrahedron Letters, 44 . pp. 2841-2844. (doi:10.1016/S0040-4039(03)00440-4)

Macleod, C., McKiernan, G., Guthrie, E., Farrugia, L., Hamprecht, D., Macritchie, J., and Hartley, R. (2003) Synthesis of 2-substituted benzofurans and Indoles using functionalized titanium benzylidene reagents on solid phase. Journal of Organic Chemistry, 68 . pp. 387-401. (doi:10.1021/jo026384o)

Malkov, A., Dufkova, L., Farrugia, L., and Kocovsky, P. (2003) Quinox, a quinoline-type N-oxide, as organocatalyst in the asymmetric allylation of aromatic aldehydes with allyltrichlorosilanes: The role of arene-arene interactions. Angewandte Chemie (International Edition), 42 . pp. 3674-3677. ISSN 1433-7851 (doi:10.1002/anie.200351737)

Tchinda, A., Tsopmo, A., Tene, M., Kamnaing, P., Ngnokam, D., Tane, P., Ayafor, J., Connolly, J., and Farrugia, L. (2003) Diterpenoids from Neoboutonia glabrescens (Euphorbiaceae). Phytochemistry, 64 . pp. 575-581. (doi:10.1016/S0031-9422(03)00158-4)

2002

Armstrong, S., Cross, R., Farrugia, L., Nichols, D., and Perry, A. (2002) Semi-rigid bis-phosphane ligands for metallamacrocycle formation. European Journal of Inorganic Chemistry . pp. 141-151.

Benniston, A., Ellis, D., Farrugia, L., Kennedy, R., Peacock, R., and Walker, S. (2002) The synthesis of small azamacrocycles bearing pendant aromatic functionalities. The crystal structures of [Cu(L-1)(2)](PF6)(2), [(L-1)CuCl2], [Cu(L-6)(NO3)(2)] and [Cu-2(L-7-H)(2)(OH2)(2)](PF6)(2)center dot 3H(2)O (L-1 = N-(mesitylethyl)-1,4,7-triazacyclo. Polyhedron, 21 . pp. 333-342.

Farrugia, L., and Mertes, P. (2002) Synthesis and X-ray crystal structures of Fe2Ru(CO)(12-n)(CNBut)(n) and FeRu2(CO)(12-n)(CNBut)(n) (n=1,2). Journal of Cluster Science, 13 . pp. 199-213.

Labbe, C., Coll, J., Connolly, J.D., Faini, F., Farrugia, L.J., and Rycroft, D.S. (2002) Bioactive flavanones from Luma chequen. Collection of Czechoslovak Chemical Communications, 67 (1). pp. 115-123. ISSN 0010-0765 (doi:10.1135/cccc20020115)

Vyskocil, S. et al. (2002) 2,8 '-disubstituted-1,1 '-binaphthyls: A new pattern in chiral ligands. Chemistry: A European Journal, 8 . pp. 4633-4648. ISSN 0947-6539

2001

Benniston, A., Mackie, P., Farrugia, L., Smith, G., Teat, S., and McLean, A. (2001) Detailed photophysical properties of a functionalized ruthenium(II) polypyridyl complex: through-space solvent effects. New Journal of Chemistry, 25 . pp. 458-464.

Ellis, D., and Farrugia, L. (2001) Synthesis of platinum-triruthenium clusters using the zero-valent platinum reagent Pt(nb)(3): X-ray crystal structures of Ru3Pt(CO)(11)(P-iPr(3))(2), Ru3Pt(mu-H)(mu(3)-eta(3)-MeCCHCMe)(CO)(9)(P-iPr(3)), Ru3Pt(mu(3)-eta(2)-PhCCPh)(CO)(10)(P-iPr(3)), Ru3Pt(. Journal of Cluster Science, 12 . pp. 243-257.

Farrugia, L., Cross, R., and Barley, H. (2001) (1R,2R)-1,2-diammoniocyclohexane dichloride. Acta Crystallographica. Section E: Structure Reports Online, 57 . O992-O993. ISSN 1600-5368

Farrugia, L., Cross, R., and Barley, H. (2001) cis-(2-Amino-1,1-dimethylethylamine)dichloro-palladium(II) ethanol hemisolvate. Acta Crystallographica. Section E: Structure Reports Online, 57 . M494-M495. ISSN 1600-5368

Farrugia, L., Lopinski, S., Lovatt, P., and Peacock, R. (2001) Fixing carbon dioxide with copper: Crystal structure of [LCu(mu-C2O4)CuL][Ph4B](2) (L = N,N ',N ''-triallyl-1,4,7-triazacyclononane). Inorganic Chemistry, 40 . 558-+.

Vyskocil, S., Smrcina, M., Lorenc, M., Tislerova, I., Brooks, R., Kulagowski, J., Langer, V., Farrugia, L., and Kocovsky, P. (2001) Copper(II)-mediated oxidative coupling of 2-aminonaphthalene homologues. Competition between the straight dimerization and the formation of carbazoles. Journal of Organic Chemistry, 66 . pp. 1359-1365.

This list was generated on Mon Nov 24 22:54:56 2014 GMT.
Number of items: 61.

Articles

Clark, J. S., Delion, L., and Farrugia, L. J. (2014) Total synthesis of the purported structure of sclerophytin F. Organic Letters, 16 (16). pp. 4300-4303. ISSN 1523-7060 (doi:10.1021/ol5020152)

Sovago, I., Gutmann, M. J., Hill, J. G., Senn, H. M., Thomas, L. H., Wilson, C. C., and Farrugia, L. J. (2014) Experimental electron density and neutron diffraction studies on the polymorphs of sulfathiazole. Crystal Growth and Design, 14 (3). pp. 1227-1239. ISSN 1528-7483 (doi:10.1021/cg401757z)

Grafton, M. W., Farrugia, L. J., and Sutherland, A. (2013) Synthesis of amino substituted indanes and tetralins via consecutive multi-bond forming tandem processes. Journal of Organic Chemistry, 78 (14). pp. 7199-7207. ISSN 0022-3263 (doi:10.1021/jo401182r)

Clark, J.S., Berger, R., Hayes, S.T., Senn, H.M., Farrugia, L.J., Thomas, L.H., Morrison, A.J., and Gobbi, L. (2013) Total syntheses of multiple cladiellin natural products by use of a completely general strategy. Journal of Organic Chemistry, 78 (2). pp. 673-696. ISSN 0022-3263 (doi:10.1021/jo302542h)

Malkov, A.V., Barłóg, M., Miller-Potucká, L., Kabeshov, M.A., Farrugia, L.J., and Kocovsky, P. (2012) Stereoselective palladium-catalyzed functionalization of homoallylic alcohols: a convenient synthesis of di- and trisubstituted isoxazolidines and β-amino-δ-hydroxy esters. Chemistry: A European Journal, 18 (22). pp. 6873-6884. ISSN 0947-6539 (doi:10.1002/chem.201102716)

Ahmad, S., Swift, M., Farrugia, L., Senn, H.M., and Sutherland, A. (2012) Stereoselective synthesis of functionalised carbocyclic amides: construction of the syn-(4aS,10bS)-phenanthridone skeleton. Organic and Biomolecular Chemistry, 10 (19). pp. 3937-3945. ISSN 1477-0520 (doi:10.1039/C2OB25334H)

Farrugia, L.J., and Senn, H.M. (2012) On the unusual weak intramolecular C...C interactions in Ru3(CO)12: a case of bond path artefacts introduced by the multipole model? Journal of Physical Chemistry A, 116 (1). pp. 738-746. ISSN 1089-5639 (doi:10.1021/jp2100039)

Callison, J., Betzler, F., de Cuba, K., van der Borden, W., van der Velde, K., Carr, R.H., Senn, H.M., Farrugia, L.J., Winfield, J.M., and Lennon, D. (2012) Origin of impurities formed in a polyurethane production chain. Part 2: a route to the formation of coloured impurities. Industrial and Engineering Chemistry Research, 51 (34). pp. 11021-11030. ISSN 0888-5885 (doi:10.1021/ie300987v)

Farrugia, L.J., Evans, C., Senn, H.M., Hänninen, M.M., and Sillanpaa, R. (2012) QTAIM view of metal–metal bonding in di- and trinuclear disulfido carbonyl clusters. Organometallics, 31 (7). pp. 2559-2570. ISSN 0276-7333 (doi:10.1021/om2011744)

Farrugia, L.J., Gall, J.H., and MacNicol, D.D. (2012) 1,2,4,5-Tetrakis(phenylsulfonyl)benzene: a novel quadruped host with D2 symmetry having ordered sulfolane and cycloheptanone guests. Chemical Communications, 48 (86). pp. 10600-10602. ISSN 1359-7345 (doi:10.1039/c2cc35647c)

Grafton, M.W., Farrugia, L.J., Senn, H.M., and Sutherland, A. (2012) Discovery of a multi-bond forming, four-step tandem process: construction of drug-like polycyclic scaffolds. Chemical Communications, 48 . pp. 7994-7996. ISSN 1359-7345 (doi:10.1039/c2cc33649a)

Malkov, A.V., Barłóg, M., Miller-Potucká, L., Kabeshov, M.A., Farrugia, L.J., and Kočovský, P. (2012) Stereoselective palladium-catalyzed functionalization of homoallylic alcohols: a convenient synthesis of Di- and tri-substituted isoxazolidines and β-Amino-δ-hydroxy esters. Chemistry: A European Journal, 18 (22). pp. 6873-6884. ISSN 0947-6539 (doi:10.1002/chem.201102716)

Farrugia, L.J., and Khalaji, A.D. (2011) Evidence for side-chain π-delocalization in a planar substituted benzene: an experimental and theoretical charge density study on 2,5-dimethoxybenzaldehyde thiosemicarbazone. Journal of Physical Chemistry A . ISSN 1089-5639 (doi:10.1021/jp2026169)

Farrugia, L.J., and Macchi, P. (2011) Bond orders in metal–metal interactions through electron density analysis. Structure and Bonding, 140 . pp. 1-32. ISSN 0081-5993 (doi:10.1007/430_2010_30)

Farrugia, L.J., and Senn, H.M. (2010) Metal−metal and metal−ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(μ-H)(μ-COMe)(CO)10. Journal of Physical Chemistry A, 114 (51). pp. 13418-13433. ISSN 1089-5639 (doi:10.1021/jp1098624)

Farrugia, L.J., Gall, J.H., MacNicol, D.D., and MacSween, R. (2010) The first members of the octasubstituted naphthalene spider-host series with type I (abababab) conformation: gateway to new nano-host gas storage materials. Chemical Communications, 46 (29). pp. 5241-5243. ISSN 1359-7345 (doi:10.1039/c0cc00655f)

Schmidtmann, M., Farrugia, L.J., Middlemiss, D.S., Gutmann, M.J., McIntyre, G.J., and Wilson, C.C. (2009) Experimental and theoretical charge density study of polymorphic isonicotinamide−oxalic acid molecular complexes with strong O···H···N hydrogen bonds. Journal of Physical Chemistry A, 113 (50). pp. 13985-13997. ISSN 1089-5639 (doi:10.1021/jp9067813)

Farrugia, L.J., Kocovsky, P., Senn, H.M., and Vyskocil, S. (2009) Weak intra- and intermolecular interactions in a binaphthol imine: an experimental charge density study on (±)-8'benzhydrylideneamino-1,1'-binaphthyl-2-ol. Acta Crystallographica. Section B: Structural Science, B65 (6). pp. 757-769. ISSN 0108-7681 (doi:10.1107/S010876810903273X)

Caldwell, S. T., Farrugia, L. J., Hewage, S. G., Kryvokhyzha, N., Rotello, V. M., and Cooke, G. (2009) Model systems for flavoenzyme activity: an investigation of the role functionality attached to the C(7) position of the flavin unit has on redox and molecular recognition properties. Chemical Communications (11). pp. 1350-1352. ISSN 1359-7345 (doi:10.1039/b900269n)

Farrugia, L. J., and Macchi, P. (2009) On the Interpretation of the Source Function. Journal of Physical Chemistry A, 113 (37). pp. 10058-10067. ISSN 1089-5639 (doi:10.1021/jp9036588)

Farrugia, L.J., Evans, C., Lentz, D., and Roemer, M. (2009) The QTAIM approach to chemical bonding between transition metals and carbocyclic rings: a combined experimental and theoretical study of (η5-C5H5)Mn(CO)3, (η6-C6H6)Cr(CO)3, and (E)-{(η5-C5H4)CF=CF(η5-C5H4)}(η5-C5H5)2Fe2. Journal of the American Chemical Society, 131 (3). pp. 1251-1268. ISSN 0002-7863 (doi:10.1021/ja808303j)

Farrugia, L.J., Middlemiss, D.S., Sillanpaa, R., and Seppala, P. (2008) A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions. Journal of Physical Chemistry A, 112 (38). pp. 9050-9067. ISSN 1089-5639 (doi:10.1021/jp804865j)

Farrugia, L. (2007) Sodium tungstate dihydrate: a redetermination. Acta Crystallographica. Section E: Structure Reports Online, 63 . I142-U13. ISSN 1600-5368 (doi:10.1107/s1600536807023355)

Farrugia, L., Hartley, R., Calver, A., and Rahman, S. (2007) 5-Bromoanthranil. Acta Crystallographica. Section E: Structure Reports Online, 63 . O2540-O2541. ISSN 1600-5368 (doi:10.1107/S1600536807017278)

Wilson, J., Giordani, F., Farrugia, L., Barrett, M., Robinsa, D., and Sutherland, A. (2007) Synthesis, characterisation and anti-protozoal activity of carbamate-derived polyazamacrocycles. Organic and Biomolecular Chemistry, 5 . pp. 3651-3656. (doi:10.1039/b710487a)

Akam, T., Tane, P., Wabo, H., Yong, J., Fanso-Free, S., Connolly, J., Evans, C., and Farrugia, L. (2006) A pregnane derivative and an anti-plasmodial labdane diterpenoid from the stem bark of Turraenthus africanus. Natural Product Communications, 1 . pp. 449-452.

Caldwell, S., Petersson, H., Farrugia, L., Mullen, W., Crozier, A., and Hartley, R. (2006) Isotopic labelling of quercetin 3-glucoside. Tetrahedron, 62 . pp. 7257-7265. (doi:10.1016/j.tet.2006.05.046)

Evans, C., Farrugia, L., and Tegel, M. (2006) Bis(tert-butyl isocyanide)-1 kappa C-2-di-mu-carbonyl-2 : 3 kappa C-4-octacarbonyl-1 kappa C-2,2 kappa C-3,3 kappa C-3-triangulo-diironosmium. Acta Crystallographica. Section E: Structure Reports Online, 62 . M478-M479. ISSN 1600-5368 (doi:10.1107/S1600536806004247)

Evans, C., Farrugia, L., and Tegel, M. (2006) tert-Butyl isocyanide-1 kappa C-di-mu-carbonyl-2 : 3 kappa C-4-nonacarbonyl-1 kappa C-3, 2 kappa C-3,3 kappa C-3-triangulo-diironosmium. Acta Crystallographica. Section E: Structure Reports Online, 62 . M475-M477. ISSN 1600-5368 (doi:10.1107/S1600536806004235)

Farrugia, L., Evans, C., and Tegel, M. (2006) Chemical bonds without "chemical bonding"? A combined experimental and theoretical charge density study on an iron trimethylenemethane complex. Journal of Physical Chemistry A, 110 . pp. 7952-7961. (doi:10.1021/jp061846d)

Farrugia, L., Frampton, C., Howard, J., Mallinson, P., Peacock, R., Smith, G., and Stewart, B. (2006) Experimental charge-density study on the nickel(II) coordination complex [Ni(H3L)] [NO3][PF6][H3L = N,N ',N ''-tris(2-hydroxy-3-methylbutyl)-1,4,7-triaza-cyclononane]: a reappraisal. Acta Crystallographica. Section B: Structural Science, 62 . pp. 236-244. ISSN 0108-7681 (doi:10.1107/S0108768106000802)

Volkov, A., King, H.F., Coppens, P., and Farrugia, L.J. (2006) On the calculation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model. Acta Crystallographica. Section A: Foundations of Crystallography, 62 . pp. 400-408. ISSN 0108-7673 (doi:10.1107/S0108767306026298)

Farrugia, L. (2005) Is there a Co-Co bond path in Co-2(CO)(6)(mu-CO)(mu-C4H2O2)? Chemical Physics Letters, 414 . pp. 122-126. (doi:10.1016/j.cplett.2005.07.112)

Farrugia, L., and Evans, C. (2005) Experimental X-ray charge density studies on the binary carbonyls Cr(CO)(6), Fe(CO)(5), and Ni(CO)(4). Journal of Physical Chemistry A, 109 . pp. 8834-8848. (doi:10.1021/jp053107n)

Farrugia, L., and Evans, C. (2005) Metal-metal bonding in bridged ligand systems: experimental and theoretical charge densities in Co-3(mu(3)-CX)(CO)(9) (X = H, Cl). Comptes Rendus Chimie, 8 . pp. 1566-1583. (doi:10.1016/j.crci.2004.11.040)

Long, D.L., Kogerler, P., Farrugia, L.J., and Cronin, L. (2005) Reactions of a {Mo-16}-type polyoxometalate cluster with electrophiles: a synthetic, theoretical and magnetic investigation. Dalton Transactions . pp. 1372-1380. (doi:10.1039/b419301f)

Tchimene, M., Tane, P., Ngarnga, D., Connolly, J., and Farrugia, L. (2005) Four tetranortriterpenoids from the stem bark of Khaya anthotheca. Phytochemistry, 66 . pp. 1088-1093. (doi:10.1016/j.phytochem.2005.02.028)

Jawaid, S., Farrugia, L. J., and Robins, D. J. (2004) Asymmetric synthesis of 2-substituted butane-1,4-diols by hydrogenation of homochiral fumaramide derivatives. Tetrahedron: Asymmetry, 15 (24). pp. 3979-3988. ISSN 0957-4166 (doi:10.1016/j.tetasy.2004.11.023)

Ballie, L., Farrugia, L.J., MacNicol, D.D., and MacSween, R. (2004) 2,7-di-p-chlorobenzoylnaphtho[2 ' 3 '-4 : 5]thiepin: a conformationally flexible new host molecule showing solvatochromic effects. CrystEngComm, 6 (58). pp. 326-327. ISSN 1466-8033 (doi:10.1039/b414315a)

Parker, L., Lacy, S., Farrugia, L., Evans, C., Robins, D., OHare, C., Hartley, J., Jaffar, M., and Stratford, I. (2004) A novel design strategy for stable metal complexes of nitrogen mustards as bioreductive prodrugs. Journal of Medicinal Chemistry, 47 . pp. 5683-5689. (doi:10.1021/jm0449866w)

Long, D.-L., Kögerler, P., Farrugia, L., and Cronin, L. (2003) Restraining symmetry in the formation of small polyoxomolybdates: building blocks of unprecedented topology resulting from "shrink-wrapping" [H2Mo16O52]10--type clusters. Angewandte Chemie (International Edition), 42 (35). pp. 4180-4183. ISSN 1433-7851 (doi:10.1002/anie.200351615)

Long, D.-L., Orr, D., Seeber, G., Kögerler, P., Farrugia, L.J., and Cronin, L. (2003) The missing link in low nuclearity pure polyoxovanadate clusters: preliminary synthesis and structural analysis of a new {V16} cluster and related products: dedicated to professor Achim Müller. Journal of Cluster Science, 14 (3). pp. 313-324. ISSN 1040-7278 (doi:10.1023/B:JOCL.0000005066.92182.90)

Evans, C., and Farrugia, L. (2003) Low temperature redetermination of the structure of [Ni(CO)(eta(5)-C5H5)](2). Acta Crystallographica. Section E: Structure Reports Online, 59 . M510-M511. ISSN 1600-5368 (doi:10.1107/S1600536803012984)

Farrugia, L., Macchi, P., and Sironi, A. (2003) Reversible displacive phase transition in [Ni(en)(3)](2+)(NO3-)(2): a potential temperature calibrant for area-detector diffractometers. Journal of Applied Crystallography, 36 . pp. 141-145. (doi:10.1107/S0021889802021878)

Farrugia, L., Mallinson, P., and Stewart, B. (2003) Experimental charge density in the transition metal complex Mn-2(CO)(10): a comparative study. Acta Crystallographica. Section B: Structural Science, 59 . pp. 234-247. ISSN 0108-7681 (doi:10.1107/S0108768103000892)

Gibson, M., Goodman, J., Farrugia, L., and Hartley, R. (2003) Controlling neighbouring group participation from thioacetals. Tetrahedron Letters, 44 . pp. 2841-2844. (doi:10.1016/S0040-4039(03)00440-4)

Macleod, C., McKiernan, G., Guthrie, E., Farrugia, L., Hamprecht, D., Macritchie, J., and Hartley, R. (2003) Synthesis of 2-substituted benzofurans and Indoles using functionalized titanium benzylidene reagents on solid phase. Journal of Organic Chemistry, 68 . pp. 387-401. (doi:10.1021/jo026384o)

Malkov, A., Dufkova, L., Farrugia, L., and Kocovsky, P. (2003) Quinox, a quinoline-type N-oxide, as organocatalyst in the asymmetric allylation of aromatic aldehydes with allyltrichlorosilanes: The role of arene-arene interactions. Angewandte Chemie (International Edition), 42 . pp. 3674-3677. ISSN 1433-7851 (doi:10.1002/anie.200351737)

Tchinda, A., Tsopmo, A., Tene, M., Kamnaing, P., Ngnokam, D., Tane, P., Ayafor, J., Connolly, J., and Farrugia, L. (2003) Diterpenoids from Neoboutonia glabrescens (Euphorbiaceae). Phytochemistry, 64 . pp. 575-581. (doi:10.1016/S0031-9422(03)00158-4)

Armstrong, S., Cross, R., Farrugia, L., Nichols, D., and Perry, A. (2002) Semi-rigid bis-phosphane ligands for metallamacrocycle formation. European Journal of Inorganic Chemistry . pp. 141-151.

Benniston, A., Ellis, D., Farrugia, L., Kennedy, R., Peacock, R., and Walker, S. (2002) The synthesis of small azamacrocycles bearing pendant aromatic functionalities. The crystal structures of [Cu(L-1)(2)](PF6)(2), [(L-1)CuCl2], [Cu(L-6)(NO3)(2)] and [Cu-2(L-7-H)(2)(OH2)(2)](PF6)(2)center dot 3H(2)O (L-1 = N-(mesitylethyl)-1,4,7-triazacyclo. Polyhedron, 21 . pp. 333-342.

Farrugia, L., and Mertes, P. (2002) Synthesis and X-ray crystal structures of Fe2Ru(CO)(12-n)(CNBut)(n) and FeRu2(CO)(12-n)(CNBut)(n) (n=1,2). Journal of Cluster Science, 13 . pp. 199-213.

Labbe, C., Coll, J., Connolly, J.D., Faini, F., Farrugia, L.J., and Rycroft, D.S. (2002) Bioactive flavanones from Luma chequen. Collection of Czechoslovak Chemical Communications, 67 (1). pp. 115-123. ISSN 0010-0765 (doi:10.1135/cccc20020115)

Vyskocil, S. et al. (2002) 2,8 '-disubstituted-1,1 '-binaphthyls: A new pattern in chiral ligands. Chemistry: A European Journal, 8 . pp. 4633-4648. ISSN 0947-6539

Benniston, A., Mackie, P., Farrugia, L., Smith, G., Teat, S., and McLean, A. (2001) Detailed photophysical properties of a functionalized ruthenium(II) polypyridyl complex: through-space solvent effects. New Journal of Chemistry, 25 . pp. 458-464.

Ellis, D., and Farrugia, L. (2001) Synthesis of platinum-triruthenium clusters using the zero-valent platinum reagent Pt(nb)(3): X-ray crystal structures of Ru3Pt(CO)(11)(P-iPr(3))(2), Ru3Pt(mu-H)(mu(3)-eta(3)-MeCCHCMe)(CO)(9)(P-iPr(3)), Ru3Pt(mu(3)-eta(2)-PhCCPh)(CO)(10)(P-iPr(3)), Ru3Pt(. Journal of Cluster Science, 12 . pp. 243-257.

Farrugia, L., Cross, R., and Barley, H. (2001) (1R,2R)-1,2-diammoniocyclohexane dichloride. Acta Crystallographica. Section E: Structure Reports Online, 57 . O992-O993. ISSN 1600-5368

Farrugia, L., Cross, R., and Barley, H. (2001) cis-(2-Amino-1,1-dimethylethylamine)dichloro-palladium(II) ethanol hemisolvate. Acta Crystallographica. Section E: Structure Reports Online, 57 . M494-M495. ISSN 1600-5368

Farrugia, L., Lopinski, S., Lovatt, P., and Peacock, R. (2001) Fixing carbon dioxide with copper: Crystal structure of [LCu(mu-C2O4)CuL][Ph4B](2) (L = N,N ',N ''-triallyl-1,4,7-triazacyclononane). Inorganic Chemistry, 40 . 558-+.

Vyskocil, S., Smrcina, M., Lorenc, M., Tislerova, I., Brooks, R., Kulagowski, J., Langer, V., Farrugia, L., and Kocovsky, P. (2001) Copper(II)-mediated oxidative coupling of 2-aminonaphthalene homologues. Competition between the straight dimerization and the formation of carbazoles. Journal of Organic Chemistry, 66 . pp. 1359-1365.

Book Sections

Flierler, U., Stalke, D., and Farrugia, L.J. (2011) Chemical information from charge densities. In: Gatti, C. and Macchi, P. (eds.) Modern Charge Density Methods. Springer. ISBN 9789048138357

This list was generated on Mon Nov 24 22:54:56 2014 GMT.

Teaching

Level-1 The Periodic Table (Sci. Fun.)


Level-2 Introduction to Organometallics


Level-3 Transition Metal Organometallics


Level-4 Reactivity of Transition Metal Organometallics

Awards

PhD (Bristol)

Selected Recent Talks

"Charge Density Determinations from X-Ray Diffraction Data" Graduate series of Lectures for 17th Jyväskylä Summer School Jyväskylä, Finland, August, 2007.

speaker "Recent Developments In Charge Density Studies on Transition Metals", Department of Physics, University of Augsburg, Germany, 30th June, 2008.

"The AIM Catastrophe in Transition Metal Complexes" XV1 Sagamore Meeting, Sante Fe, NM, USA, 2nd-7th August, 2009.

"Modern Trends In Inorganic Chemistry" - MTIC-XII, Indian Institute of Technology, Bangalore, India, December 7-10 2009

"QTAIM View of Bonding in Transition Metals", Laboratoire de Chimie de Coordination du CNRS, Université Paul Sabatier, Toulouse, France, March 5th, 2010.

External Appointments & Positions

Editorial Boards: Acta Crystallographica


Committee Member IUCR Commission on Charge, SPin & Momentum Density