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Scientific Publications 2005 — 2009


  1. “New Chiral Auxiliaries for Dynamic Kinetic Resolution. From Theory to Experiment.” A. G. Santos, J. Pereira, C. A. M. Afonso, G. Frenking, Chem. Eur. J. 11, 330 (2005) online (DOI)

  2. “Energy Analysis of the Chemical Bond in Group IV and V Complexes: A Density Functional Theory Study.” O. Kh. Poleshchuk, E. L. Shevchenko, V. Branchadell, M. Lein, G. Frenking, Int. J. Quantum Chem. 101, 869 (2005) online (DOI)

  3. “Aromatic Boron Wheels With More than One Carbon Atom in the Center: C2B8, C3B93+ and C5B11+.” S. Erhardt, G. Frenking, Z. Chen, P. v.R. Schleyer, Angew. Chem. 117, 1102 (2005) online (DOI); Angew. Chem. Int. Ed. Engl. 44, 1078 (2005) online (DOI)

  4. “Reaction of Tungsten η1-Acetylide Complexes [(η5–C5H5)(NO)(CO)W–C≡C–R]Li with Iminium Ions.” J. Ipaktschi, J. Mohsseni-Ala, A. Dülmer, C. Loschen, G. Frenking, Organometallics, 24, 977 (2005) online (DOI)

  5. “The Nature of the Chemical Bond Revisited: An Energy-Partitioning Analysis of Nonpolar Bonds”. A. Kovács, C. Esterhuysen, G. Frenking, Chem. Eur. J. 11, 1813 (2005) online (DOI)

  6. “Experimental and Theoretical Studies of Carbodiphosphorane-CX2 Adducts with Unusual Bonding Situations: Preparation, Crystal Structures, and Bonding Analyses of S2CC(PPh3)2, O2CC(PPh3)2 and [(CO)4MS2CC(PPh3)2](M=Cr, Mo, W)” W. Petz, C. Kutschera, M. Heitbaum, G. Frenking, R. Tonner, B. Neumüller, Inorg. Chem. 44, 1263 (2005) online (DOI)

  7. “Why do the Heavy-Atom Analogues of Acetylene E2H2 (E = Si - Pb) Exhibit Unusual Structures?” M. Lein, A. Krapp, G. Frenking, J. Am. Chem. Soc. 127, 6290 (2005) online (DOI)

  8. “C–H-aktivierte Isomere von [M(AlCp*)5] (M = Fe, Ru).” T. Steinke, M. Cokoja, C. Gemel, A. Kempter, A. Krapp, G. Frenking, U. Zenneck, R. A. Fischer, Angew. Chem. 117, 3003 (2005) online (DOI); Angew. Chem. Int. Ed. Engl. 44, 2943 (2005) online (DOI)

  9. “Direct Estimate of the Conjugative and Hyperconjugative Stabilization in Diynes, Dienes, and Related Compounds.” D. Cappel, S. Tüllmann, A. Krapp and G. Frenking, Angew. Chem. 117, 3683 (2005) online (DOI); Angew. Chem. Int. Ed. Engl. 44, 3617 (2005) online (DOI)

  10. “Organometallacycles as Intermediates in Oxygen-Transfer Reactions. Reality or Fiction?” D. V. Deubel, C. Loschen, G. Frenking, Topics in Organometallic Chemistry, Vol. 12, G. Frenking (Ed), Springer, Heidelberg, 109 (2005) online (DOI)

  11. “Chemo- and Periselectivity in the Addition of [OsO2(CH2)2] to Ethylene: A Theoretical Study.” M. Hölscher, W. Leitner, M. C. Holthausen and G. Frenking, Chem. Eur. J. 11, 4700 (2005) online (DOI)

  12. “Extending the NHC Concept: C-C Coupling Catalysis by a PdII Carbene (rNHC) Complex with Remote Heteroatoms.” S. K. Schneider, P. Roembke, G. R. Julius, C. Loschen, H. G. Raubenheimer, G. Frenking and W. A. Herrmann, Eur. J. Inorg. Chem., 2973 (2005) online (DOI)

  13. “Energy Decomposition Analysis of E-E Bonding in Planar and Perpendicular X2E–EX2 (E = B, Al, Ga, In, Tl; X = H, F, Cl, Br, I).” (Theoretical Studies of Inorganic Compounds. 34.) A. Szabó, A. Kovács and G. Frenking, Z. Anorg. Allg. Chem. 631, 1803 (2005) online (DOI)

  14. “Computing technologies, theories, and algorithms. The making of 40 years and more of theoretical and computational chemistry.” C. E. Dykstra, G. Frenking, K. S. Kim, G. E. Scuseria, Theory and Applications of Computational Chemistry: The First 40 Years, C. E. Dykstra, G. Frenking, K. S. Kim, G. E. Scuseria (Eds), Elsevier, Amsterdam, 1 (2005) ISBN-10: 0444517197 / ISBN-13: 978-0444517197 Google books

  15. (Review) “The nature of the chemical bond in the light of an energy decomposition analysis.” M. Lein and G. Frenking, Theory and Applications of Computational Chemistry: The First 40 Years, C. E. Dykstra, G. Frenking, K. S. Kim, G. E. Scuseria (Eds), Elsevier, Amsterdam, 291 (2005) ISBN-10: 0444517197 / ISBN-13: 978-0444517197 Google books

  16. “Building a Quintuple Bond.” G. Frenking, Science 310, 796 (2005) online (DOI)

  17. “Chemical bonding in transition metal carbene complexes.” G. Frenking, M. Solà, S. F. Vyboishchikov, J. Organomet. Chem. 690, 6178 (2005) online (DOI)

  18. “Electronic Structure of Main-Group Compounds.” G. Frenking and M. Lein, Encyclopedia of Inorganic Chemistry, 2nd edition, Vol. 3, p. 1427, B. King (Editor), Wiley, New York, (2005) online (DOI)

  19. “Computational Chemistry.” R. Tonner and G. Frenking, High Performance Computing in Science and Engineering ’05, p. 245, W. E. Nagel, W. Jäger, M. Resch (Eds), Springer, (2006) ISBN-10: 3540283773 / ISBN-13: 978-3540283775 Google books

  20. “A first structural and theoretical comparison of pyridinylidene-type rNHC (remote N-heterocyclic carbene) and NHC complexes of Ni(II) obtained by oxidative substitution.” H. G. Raubenheimer, S. K. Schneider, G. R. Julius, C. Loschen, G. Frenking and W. A. Herrmann, Dalton Trans. 1226 (2006) online (DOI)

  21. “Correlation between Hammett Substituent Constants and Directly Calculated π-Conjugation Strength.” I. Fernández and G. Frenking, J. Org. Chem. 71, 2251 (2006) online (DOI)

  22. “Structures and Bonding Analyses of Beryllium Chloro Complexes with Nitrogen Donors.” (Theoretical Studies of Inorganic Compounds. 36.) S. Metz, M. C. Holthausen, G. Frenking, Z. Anorg. Allg. Chem. 632, 814 (2006) online (DOI)

  23. “Comment on ‘Disproving a Silicon Analog of an Alkyne with the Aid of Topological Analyses of the Electronic Structure and Ab Initio Molecular Dynamics Calculations’.” G. Frenking, A. Krapp, S. Nagase, N. Takagi, A. Sekiguchi, ChemPhysChem, 7, 799 (2006) online (DOI)

  24. “Direct Estimate of the Strength of Conjugation and Hyperconjugation by the Energy Decomposition Analysis Method.” I. Fernández and G. Frenking, Chem. Eur. J. 12, 3617 (2006) online (DOI)

  25. “A Challenge to Chemical Intuition: Donor-Acceptor Interactions in H3B–L and H2B+–L (L = CO; EC5H5, E = N–Bi).” (Theoretical Studies of Inorganic Compounds. 35.) S. Erhardt and G. Frenking, Chem. Eur. J. 12, 4620 (2006) online (DOI)

  26. “‘Naked’ Ga+ and In+ as Pure Acceptor Ligands: Structure and Bonding of [GaPt(GaCp*)4][BArF].” B. Buchin, C. Gemel, T. Cadenbach, I. Fernández, G. Frenking, R. A. Fischer, Angew. Chem. 118, 5331 (2006) online (DOI); Angew. Chem. Int. Ed. 45, 5207 (2006) online (DOI)

  27. “Chemical Bonding in Phosphane and Amine Complexes of Main Group Elements and Transition Metals.” (Theoretical Studies of Inorganic Compounds. 37.) F. Bessac, G. Frenking, Inorg. Chem. 45, 6956 (2006) online (DOI)

  28. “Aurolysis of α–C-deprotonated group 6 aminocarbene and thiocarbene complexes with Ph3PAu.” H. G. Raubenheimer, M. W. Esterhuysen, G. Frenking, A. Y. Timoshkin, C. Esterhuysen, U. E. I. Horvath, Dalton Trans., 4580 (2006) online (DOI)

  29. “Ethylene addition to OsO3(CH2) – A theoretical study.” (Theoretical Studies of Organometallic Compounds. 53.) D. Cappel, S. Tüllmann, C. Loschen, M. C. Holthausen, G. Frenking, J. Organomet. Chem. 691, 4467 (2006) online (DOI)

  30. “Reply to ‘Comment on the Comparative Use of the Electron Density and Its Laplacian’.” G. Frenking, C. Esterhuysen, A. Kovács, Chem. Eur. J. 12, 7773 (2006) online (DOI)

  31. “Carbodiphosphoranes: Chemistry of Di-Valent Carbon(0).” R. Tonner, F. Öxler, B. Neumüller, W. Petz, G. Frenking, Angew. Chem. 118, 8206 (2006) online (DOI); Angew. Chem. Int. Ed. 45, 8038 (2006) online (DOI)

  32. “Orbital Overlap and Chemical Bonding.” A. Krapp, F. M. Bickelhaupt, G. Frenking, Chem. Eur. J. 12, 9196 (2006) online (DOI)

  33. “π-Conjugation in donor-substituted cyanoethynylethenes: an EDA Study.” I. Fernández and G. Frenking, Chem. Commun. 5030 (2006) online (DOI)

  34. “Lewis acidity of group 14 tetrahalides in gas phase.” E.I. Davydova, A. Y. Timoshkin, T. N. Sevastianova, A. V. Suvorov and G. Frenking, J. Mol. Struct. THEOCHEM, 767, 103 (2006) online (DOI)

  35. “Quantum-Chemical Study of Adducts of Germanium Halides with Nitrogen-Containing Donors.” E. I. Davydova, T. N. Sevast’yanova, A. V. Suvurov, G. Frenking, Russ. J. Gen. Chem. 76, 545 (2006) online (DOI)

  36. “Unicorns in the World of Chemical Bonding Models.” A. Krapp, G. Frenking, J. Comput. Chem. 28, 15 (2007) online (DOI)

  37. “Electronic Structure of CO – An Exercise in Modern Chemical Bonding Theory.” Gernot Frenking, C. Loschen, A. Krapp, S. Fau, S. H. Strauss, J. Comput. Chem. 28, 117 (2007) online (DOI)

  38. “Direct estimate of conjugation and aromaticity in cyclic compounds with the EDA method.” I. Fernández and G. Frenking, Faraday Discuss. 135, 403 (2007) online (DOI)

  39. “Thermodynamics of the Decomposition Processes of Donor-Acceptor Complexes MX3⋅en⋅MX3 and MX3⋅en.” C. Trinh, A. Y. Timoshkin, G. Frenking, ChemPhysChem 8, 425 (2007) online (DOI)

  40. “Theoretical studies of ethylene addition to transition metal compounds With carbene and oxo groups LnM(=CH2)(=O).” (Theoretical Studies of Organometallic Compounds. 54.) R.Haunschild, C. Loschen, S. Tüllmann, D. Cappel, M. Hölscher, M. C. Holthausen and G. Frenking, J. Phys. Org. Chem. 20, 11 (2007) online (DOI)

  41. “Theoretical studies of ethylene addition to O=W(=CH2)(CH3)2.” R. Haunschild and G. Frenking, Z. Naturforsch. 62b, 367 (2007) online (abstract, full text)

  42. “The six-bond bound.” G. Frenking and R. Tonner, Nature 446, 276 (2007) online (DOI)

  43. “A New Look at the Ylidic Bond in Phosphorous Ylides and Related Compounds: Energy Decomposition Analysis Combined with a Domain-Averaged Fermi Hole Analysis.” M. J. Calhorda, A. Krapp and G. Frenking, J. Phys. Chem. A. 111, 2859 (2007) online (DOI)

  44. “Reply to Réplique: A New Concept for Bonding in Carbodiphosphoranes?” G. Frenking, B. Neumüller, W. Petz, R. Tonner, F. Öxler, Angew. Chem. 119, 3044 (2007) online (DOI); Angew. Chem. Int. Ed. 46, 2986 (2007) online (DOI)

  45. “(Ph4P)2[Be2F6]⋅2CH3CN: Synthese, Schwingungsspektrum, Kristallstruktur und quantenchemische Rechnungen.” R. Tonner, G. Frenking, B. Neumüller und K. Dehnicke, Z. Anorg. Allg. Chem. 633, 1183 (2007) online (DOI)

  46. “Aromaticity in Metallabenzenes.” (Theoretical Studies of Organometallic Compounds. 55.) I. Fernández and G. Frenking, Chem. Eur. J., Chem. Eur. J. 13, 5873 (2007) online (DOI)

  47. “Transition Metal-Carbon Complexes. A Theoretical Study.” (Theoretical Studies of Organometallic Compounds. 56.) A. Krapp, K. K. Pandey, G. Frenking, J. Am. Chem. Soc., 129, 7596 (2007) online (DOI)

  48. “Synthesis and Electronic Structure of a Ferroborirene.” H. Braunschweig, I. Fernández, G. Frenking, K. Radacki, F. Seeler, Angew. Chem. 119, 5307 (2007) online (DOI); Angew. Chem. Int. Ed. Engl. 46, 5215 (2007) online (DOI)

  49. “Hyperconjugative Stabilization in Alkyl Carbocations: Direct Estimate of the β-Effect of Group-14 Elements.” I. Fernández and G. Frenking, J. Phys. Chem. A 111, 8028 (2007) online (DOI)

  50. “Multimetallocenes. A Theoretical Study.” A. Velazquez, I. Fernández, G. Frenking, G. Merino, Organometallics, Organometallics 26, 4731 (2007) online (DOI)

  51. “Heavy Ferrocene: A Sandwich Complex Containing Si and Ge Atoms.” V. Ya. Lee, R. Kato, A. Sekiguchi, A. Krapp, G. Frenking, J. Am. Chem. Soc., J. Am. Chem. Soc. 129, 10340 (2007) online (DOI)

  52. “EDA Study of π-Conjugation in Tunable Bis(gem-diethynylethene) Fluorophores.” I. Fernández and G. Frenking, J. Org. Chem. 72, 7367 (2007) online (DOI)

  53. “Is This a Chemical Bond? A Theoretical Study of Ng2@C60 (Ng = He, Ne, Ar, Kr, Xe).” A. Krapp and G. Frenking, Chem. Eur. J., Chem. Eur. J. 13, 8256 (2007) online (DOI)

  54. “Stable Pentacoordinate Carbocations: Structure and Bonding.” I. Fernández, E. Uggerud, G. Frenking, Chem. Eur. J., Chem. Eur. J. 13, 8620 (2007) online (DOI)

  55. “Double Group Transfer Reactions as Indicators of Aromatic Stabilization.” I. Fernández, G. Frenking, M. A. Sierra, F. P. Cossío, Eur. J. Org. Chem. 5410 (2007) online (DOI)

  56. “The ABCs of Multiple Bonding.” G. Frenking and R. Tonner, Science 318, 746 (2007) online (DOI)

  57. “C(NHC)2: Divalent Carbon(0) Compounds with N-Heterocyclic Carbene Ligands – Theoretical Evidence for a Class of Molecules with Promising Chemical Properties.” R. Tonner and G. Frenking, Angew. Chem., Angew. Chem. 119, 8850 (2007) online (DOI); Angew. Chem. Int. Ed. 46, 8695 (2007) online (DOI)

  58. “The Nature of the Ru-NO Bond in Ruthenium Tetraammine Nitrosyl Complexes.” G. F. Caramori and G. Frenking, Organometallics 26, 5815 (2007) online (DOI)

  59. “Bonding Analysis of N-Heterocyclic Carbene Tautomers and Phosphine Ligands in Transition-Metal Complexes: A Theoretical Study.” (Theoretical Studies of Inorganic Compounds. 57.) R. Tonner, G. Heydenrych, G. Frenking, Chem. Asian J. 2, 1555 (2007) online (DOI)

  60. “Gas-Phase Lewis Acidity of Perfluoroaryl Derivatives of Group 13 Elements.” A. Y. Timoshkin and G. Frenking, Organometallics 27, 371 (2008) online (DOI)

  61. “Ethylene addition to group-6 transition metal oxo complexes – A theoretical study.” (Theoretical Studies of Organometallic Compounds. 58.) R. Haunschild and G. Frenking, J. Organomet. Chem. 693, 737 (2008) online (DOI)

  62. “Struktureller Nachweis der Antiaromatizität in freien Borolen.” H. Braunschweig, I. Fernández, G. Frenking, T. Kupfer, Angew. Chem. 120, 1977 (2008) online (DOI); Angew. Chem. Int. Ed. 47, 1951 (2008) online (DOI)

  63. “Structure and Bonding of [E–Cp–E']+ Complexes (E and E' = B‚ Tl; Cp = Cyclopentadienyl).” I. Fernández, E. Cerpa, G. Merino and Gernot Frenking, Organometallics 27, 1106 (2008) online (DOI)

  64. “Are carbodiphosphoranes better ligands than N-heterocyclic carbenes for Grubb’s catalysts?” R. Tonner and G. Frenking, Chem. Commun. 1584 (2008) online (DOI)

  65. “Divalent Carbon(0) Chemistry. Part 1: Parent Compounds.” R. Tonner and G. Frenking, Chem. Eur. J. 14, 3260 (2008) online (DOI)

  66. “Divalent Carbon(0) Chemistry. Part 2: Protonation and Complexes with Main Group and Transition Metal Lewis Acids.” R. Tonner and G. Frenking, Chem. Eur. J. 14, 3273 (2008) online (DOI)

  67. “Molecular electrostatic potentials of divalent carbon(0) compounds.” M. M. Deshmukh, S. R. Gadre, R. Tonner, G. Frenking, Phys. Chem. Chem. Phys. 10, 2298 (2008) online (DOI)

  68. “The strength of the σ-, π- and δ-bonds in Re2Cl82-.” A. Krapp, M. Lein, G. Frenking, Theor. Chem. Acc. 120, 313 (2008) online (DOI)

  69. “Non polar Dihydrogen Bonds – On a Gliding Scale from Weak Dihydrogen Interaction to Covalent H–H in Symmetric Radical Cations [HnE–H–H–EHn]+.” A. Krapp, G. Frenking, E. Uggerud, Chem. Eur. J. 14, 4028 (2008) online (DOI)

  70. “Analysis of the metal-ligand bonds in [Mo(X)(NH2)3] (X = P, N, PO, and NO), [Mo(CO)5(NO)]+, and [Mo(CO)5(PO)]+.” (Theoretical Studies of Inorganic Compounds. 39) G. F. Caramori and G. Frenking, Theor. Chem. Acc. 120, 351 (2008) online (DOI)

  71. “Mechanistic Study of Intramolecular Aldol Reactions of Dialdehydes.” F. J. S. Duarte, E. J. Cabrita, G. Frenking, A. Gil Santos, Eur. J. Org. Chem. 3397 (2008) online (DOI)

  72. “Ligand-Tuned Regioselectivity of a Cobalt-Catalyzed Diels-Alder Reaction. A Theoretical Study.” P. Mörschel, J. Janikowski, G. Hilt and G. Frenking, J. Am. Chem. Soc. 130, 8952 (2008) online (DOI)

  73. “First and Second Proton Affinities of Carbon Bases.” R. Tonner, G. Heydenrych G. Frenking, Chem. Phys. Chem. 9, 1474 (2008) online (DOI)

  74. “η1-Coordination of Phosphinine C5H5P and Arsenine C5H5As to Ruthenium(II) and Osmium(II).” C. Elschenbroich, J. Six, K. Harms, G. Frenking, G. Heydenrych, Eur. J. Inorg. Chem., 3303 (2008) online (DOI)

  75. “Comments on ‘Homoleptical Silver(I) Acetylene Complexes’.” A. Krapp and G. Frenking, Angew. Chem. 120, 7912 (2008) online (DOI); Angew. Chem. Int. Ed. 47, 7796 (2008) online (DOI)

  76. “No Important Suggestions.” G. Frenking, Angew. Chem. 120, 7280 (2008) online (DOI); Angew. Chem. Int. Ed. 47, 7168 (2008) online (DOI)

  77. “Ethylene Addition to Group-9 Transition Metal Dioxo Compounds – A Quantum Chemical Study.” (Theoretical Studies of Organometallic Compounds. 60.) R. Haunschild and G. Frenking, Z. Anorg. Allg. Chem. 634, 2145 (2008) online (DOI)

  78. “Two complementary molecular energy decomposition schemes: The Mayer and Ziegler-Rauk methods in comparison.” S. F. Vyboishchikov, A. Krapp, G. Frenking, J. Chem. Phys. 129, 144111 (2008) online (DOI)

  79. “Quantum chemical study of ethylene addition to group-7 oxo complexes MO2(CH3)(CH2) (M = Mn, Tc, Re).” (Theoretical Studies of Organometallic Compounds. 59.) R. Haunschild and G. Frenking, J. Organomet. Chem. 693, 3627 (2008) online (DOI)

  80. “Twelve One-Electron Ligands Coordinating One Metal Center: Structure and Bonding of [Mo(ZnCH3)9(ZnCp*)3].” T. Cadenbach, T. Bollermann, C. Gemel, I. Fernández, M. von Hopffgarten, G. Frenking, R. Fischer, Angew. Chem. 120, 9290 (2008) online (DOI); Angew. Chem. Int. Ed. 47, 9150 (2008) online (DOI)

  81. “The nature of the metal-nitric oxide bond in the [M(CN)5(NO)]q (M = Cr, Mn, Fe, Ru, Os, and Co) and trans-[Ru(NH3)4L(NO)]q (L = pyrazine, pyridine, N2, H2O, Cl-, CN-, NO2-) complexes: A bond-energy decomposition analysis.” O. Y. Lyubimova, O. V. Sizova, C. Loschen, G. Frenking, J. Molec. Struct. THEOCHEM 865, 28 (2008) online (DOI)

  82. “Chemical Bonding in the Inclusion Complex of He in Adamantane, He@adam: Antithesis and Complement.” M. von Hopffgarten and G. Frenking, Chem. Eur. J. 14, 10227 (2008) online (DOI)

  83. “Crystalline Intermediates during Polycondensation Reactions in the C–N–Cl System – The Paddle-Wheel Molecule N(C6N7Cl2)3.” S. Tragl, K. Gibson, J. Glaser, G. Heydenrych, G. Frenking, V. Duppel, A. Simon, H.-J. Meyer, Z. Anorg. Allg. Chem. 634, 2754 (2008) online (DOI)

  84. “Π-Bonding in Complexes of Benzannulated Biscarbenes, -germylenes and -stannylenes: An Experimental and Theoretical Study.” F. E. Hahn, A. V. Zabula, T. Pape, A. Hepp, R. Tonner, R. Haunschild, G. Frenking, Chem. Eur. J. 14, 10716 (2008) online (DOI)

  85. “Organometallic Chemistry of Ga+: Formation of an Unusual Gallium Dimer in the Coordination Sphere of Ruthenium.” T. Cadenbach, C. Gemel, T. Bollermann, I. Fernández, G. Frenking, R. A. Fischer, Chem. Eur. J. 14, 10789 (2008) online (DOI)

  86. “Carbon Complexes as Electronically and Sterically Tunable Analogues of Carbon Monoxide in Coordination Chemistry.” A. Krapp, G. Frenking, J. Am. Chem. Soc. 130, 16646 (2008) online (DOI)

  87. “Further Shortening of the C–C Single Bond in Substituted Tetrahedranyl Tetrahedrane Systems: An Energy Decomposition Analysis.” G. Gayatri, Y. Soujanya, I. Fernández, G. Frenking, G. N. Sastry, J. Phys. Chem. A. 112, 12919 (2008) online (DOI)

  88. “Is it Possible To Synthesize a Neutral Noble Gas Compound Containing a Ng–Ng Bond? A Theoretical Study of H–Ng–Ng–F (Ng = Ar, Kr, Xe).” C. Ó. Jiménez-Halla. , I. Fernández , G. Frenking, Angew. Chem. 121, 372 (2009) online (DOI); Angew. Chem. Int. Ed. 48, 366 (2009) online (DOI)

  89. “Density Functional Study of Proline-Catalyzed Intramolecular Baylis-Hillman Reactions.” F. J. S. Duarte, E. J. Cabrita, G. Frenking, A. G. Santos, Chem. Eur. J. 15, 1734 (2009) online (DOI)

  90. “The Interplay Between Steric and Electronic Effects in SN2 Reactions.” I. Fernández, G. Frenking, E. Uggerud, Chem. Eur. J. 15, 2166 (2009) online (DOI)

  91. “Ethylene addition to Ru(=CH2)(=O)3 – A theoretical Study.” R. Haunschild, S. Tüllmann, G. Frenking, M. C. Holthausen, J. Organomet. Chem. 694, 1081 (2009) online (DOI)

  92. “Bonding situation and stability of η1- and η6-bonded heteroarene complexes M(η1-EC5H5)6 and M(η6-EC5H5)2 (M = Cr, Mo, W; E = N, P, As, Sb, Bi).” (Theoretical Studies of Organometallic Compounds. 61.) S. Erhardt and G. Frenking, J. Organomet. Chem. 694, 1091 (2009) online (DOI)

  93. “Divalent Silicon(0) Compounds.” N. Takagi, T. Shimizu, G. Frenking, Chem. Eur. J. 15, 3448 (2009) online (DOI)

  94. “Donor Acceptor Complexes of Noble Gases.” L. A. Mück, A. Y. Timoshkin, M. v. Hopffgarten, G. Frenking, J. Am. Chem. Soc. 131, 3942 (2009) online (DOI)

  95. “Aluminum-Nitrogen Rings and Cages with Organic Handles: A Theoretical Study.” C. Trinh, A. Y. Timoshkin, G. Frenking, J. Phys. Chem. A 113, 3420 (2009) online (DOI)

  96. “The Nature of the Metal-Carbene Bond in Normal and Abnormal Pyridylidene, Quinolylidene and Isoquinolylidene Complexes.” (Theoretical Studies of Organometallic Compounds. 62.) G. Heydenrych, M. von Hopffgarten, E. Stander, O. Schuster, H. G. Raubenheimer, G. Frenking, Eur. J. Inorg. Chem. 1892 (2009) online (DOI)

  97. “Divalent carbon(0) compounds.” G. Frenking, R. Tonner, Pure Appl. Chem. 81, 597 (2009) online (DOI)

  98. “13C and 19F NMR chemical shifts of the iron carbene complex (CO)4Fe-CF2 – A case study at DFT level.” Y. Chen, L. Zhao, C.-M. Xu, Z.-C. Liu, G. Frenking, J. of Molec. Struct. THEOCHEM, 905, 40 (2009) online (DOI)

  99. “Structures and stability of Cl-M-N-H rings and cages (M = Si, Ge, Sn, Ti).” E. I. Davydova, A. Y. Timoshkin, T.N. Sevastianova, A.V. Suvorov, G. Frenking, Mol. Phys. 107, 899 (2009) online (DOI)

  100. “Tetrahedranes. A theoretical study of singlet E4H4 molecules (E = C – Pb and B – Tl).” R. Haunschild and G. Frenking, Mol. Phys. 107, 911 (2009) online (DOI)

  101. “Synthesis and Ligand Properties of a Persistent All-Carbon Four-Membered-Ring Allene.” M. Melaimi, P. Parameswaran, B. Donnadieu, G. Frenking, G. Bertrand, Angew. Chem. 121, 4886 (2009) online (DOI); Angew. Chem. Int. Ed. 48, 4792 (2009) online (DOI)

  102. “The Effects of N-Heterocyclic Ligands on the Nature of the Ru-(NO) Bond in Ruthenium Tetraammine Nitrosyl Complexes.” G. Caramori, G. Frenking, Croat. Chem. Acta 82, 219 (2009) online (PDF)

  103. “Tolman’s Electronic Parameters for Divalent Carbon(0) Compounds.” R. Tonner and G. Frenking, Organometallics 28, 3901 (2009) online (DOI)

  104. “Borylene-Based Direct Functionalization of Organic Substrates: Synthesis, Characterization and Photophysical Properties of Novel π-Conjugated Borirenes.” H. Braunschweig, T. Herbst, D. Rais, S. Ghosh, T. Kupfer, K. Radacki, A. G. Crawford, R. M. Ward, T. B. Marder, I. Fernández, G. Frenking, J. Am. Chem. Soc. 131, 8989 (2009) online (DOI)

  105. “A Short Bi=Bi Bond Supported by a Metalloid Group 13 Ligand.” G. Prabusankar, C. Gemel, P. Parameswaran, C. Flener, G. Frenking, R. A. Fischer, Angew. Chem. 121, 5634 (2009) online (DOI); Angew. Chem. Int. Ed. 48, 5526 (2009) online (DOI)

  106. “Exocyclic Delocalization at the Expense of Aromaticity in 3,5-bis(Π-Donor) Substituted Pyrazolium Ions and Corresponding Cyclic Bent Allenes.” I. Fernández, C. A. Dyker, A. DeHope, B. Donnadieu, G. Frenking, G. Bertrand, J. Am. Chem. Soc. 131, 11875 (2009) online (DOI)

  107. “Divalent E(0) Compounds (E = Si – Sn).” N. Takagi, T. Shimizu, G. Frenking, Chem. Eur. J. 15, 8593 (2009) online (DOI)

  108. “Transition-Metal Complexes [(PMe3)2Cl2M(E)] and [(PMe3)2(CO)2M(E)] With Naked Group 14 Atoms (E = C – Sn) as Ligands; Part 1: Parent Compounds.” P. Parameswaran and G. Frenking, Chem. Eur. J. 15, 8807 (2009) online (DOI)

  109. “Transition-Metal Complexes [(PMe3)2Cl2M(E)] and [(PMe3)2(CO)2M(E)] With Naked Group 14 Atoms (E = C – Sn) as Ligands; Part 2: Complexation with W(CO)5.” P. Parameswaran and G. Frenking, Chem. Eur. J. 15, 8817 (2009) online (DOI)

  110. “Heavy Halogen Atom Effect on 13C NMR Chemical Shifts in Monohalo Derivatives of Cyclohexane and Pyran. Experimental and Theoretical Study.” A. Cunha Neto, L. C. Ducati, R. Rittner, C. F. Tormena, R. H. Contreras, G. Frenking, J. Chem. Theory. Comput. 5, 2222 (2009) online (DOI)

  111. “Study of a surface of the potential energy for processes of alkanes free-radical iodination by B3LYP/DGDZVP method.” O. Kh. Poleshchuk, A. G. Yureva, V. D. Filimonov, G. Frenking, J. Molec. Structure (THEOCHEM) 912, 67 (2009) online (DOI)

  112. (Review) “Calculation of Bonding Properties.” G. Frenking, M. von Hopffgarten, Computational Inorganic and Bioinorganic Chemistry, E. I. Solomon, R. A. Scott, R. B. King, (Eds), Wiley, New York, 3-16 (2009) ISBN-10: 0470862106 / ISBN-13: 9780470862100 online (DOI)

  113. “The Dewar-Chatt-Duncanson model reversed – Bonding analysis of group-10 complexes [(PMe3)2M-EX3] (M = Ni, Pd, Pt; E = B, Al, Ga, In, Tl; X = H, F, Cl, Br, I).” C. Goedecke, P. Hillebrecht, T. Uhlemann, R. Haunschild, G. Frenking, Can. J. Chem. 87, 1470 (2009) online (DOI)

  114. “Carbodiphosphorane C(PPh3)2 as a Single and Twofold Lewis Base with Boranes: Synthesis, Crystal Structures and Theoretical Studies on [H3B{C(PPh3)2}] and [{(μ-H)H4B2}{C(PPh3)2}] +.” W. Petz, F. Öxler, B. Neumüller, R. Tonner, G. Frenking, Eur. J. Inorg. Chem. 4507 (2009) online (DOI)

  115. “Six-Membered N-Heterocyclic Carbenes with a 1,1’-Ferrocenediyl Backbone: Bulky Ligands with Strong Electron-Donor Capacity and Unusual Non-Innocent Character.” U. Siemeling, C. Färber, M. Leibold, C. Bruhn, P. Mücke, R. F. Winter, B. Sarkar, M. von Hopffgarten, G. Frenking, Eur. J. Inorg. Chem. 4607 (2009) online (DOI)

  116. “Molecules with All Triple Bonds: OCBBCO, N2BBN2 and [OBBBBO]2-.” L. C. Ducati, N. Takagi and G. Frenking, J. Phys. Chem. A. 113, 11693 (2009) online (DOI)

  117. “Comparative theoretical study of [3+2] and [2+2] cycloadditions of ethylene and WXYMe2; X, Y = (=O), (=NH), (=CH2).” (Theoretical Studies of Organometallic Compounds. 63.) R. Haunschild, G. Frenking, J. Organomet. Chem. 694, 4090 (2009) online (DOI)

  118. “Isolation of a C 5-Deprotonated Imidazolium, a Crystalline ‘Abnormal’ N-Heterocyclic Carbene.” E. Aldeco-Perez, A. Rosenthal, B. Donnadieu, P. Parameswaran, G. Frenking, G. Bertrand, Science 326, 556 (2009) online (DOI)

  119. “Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n ≥ 8) Containing Organo-Zinc(I) Ligands.” T. Cadenbach, T. Bollermann, C. Gemel, M. Tombul, I. Fernandez, M. von Hopffgarten, G. Frenking, R. A. Fischer, J. Am. Chem. Soc. 131, 16063 (2009) online (DOI)

  120. “Chemoselective Boron-Carbon Bond Cleavage by Hydroboration of Borirenes.” H. Braunschweig, T. Herbst, K. Radacki, G. Frenking, M. A. Celik, Chem. Eur. J. 15, 12099 (2009) online (DOI)

  121. “N-Heterocyclic Carbene Stabilized Digermanium(0).” A. Sidiropoulos, C. Jones, A. Stasch, S. Klein, G. Frenking, Angew. Chem. 121, 9881 (2009) online (DOI); Angew. Chem. Int. Ed. 48, 9701 (2009) online (DOI)

Zuletzt aktualisiert: 16.12.2011 · Reuti

 
 
 
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