Energy Partitioning Analysis of the Bonding in L2TM−C2H2and L2TM−C2H4(TM = Ni, Pd, Pt; L2= (PH3)2, (PMe3)2, H2PCH2PH2, H2P(CH2)2PH2)
- 29 May 2003
- journal article
- research article
- Published by American Chemical Society (ACS) in Organometallics
- Vol. 22 (13) , 2758-2765
- https://doi.org/10.1021/om0301637
Abstract
No abstract availableThis publication has 64 references indexed in Scilit:
- Roothaan-Hartree-Fock-Slater atomic wave functions: Single-zeta, double-zeta, and extended Slater-type basis sets for 87Fr-103LrPublished by Elsevier ,2004
- Why are the Homoleptic Diyl Complexes M(InR)4 with M = Ni and Pt Stable Compounds while only Ni(CO)4 but not Pt(CO)4 can become Isolated? A Theoretical Study of M(EMe)44 and M(CO)4 (M = Ni, Pd, Pt; E = B, Al, Ga, In, Tl)Zeitschrift für anorganische und allgemeine Chemie, 2002
- Iron Bispentazole Fe(η5-N5)2, a Theoretically Predicted High-Energy Compound: Structure, Bonding Analysis, Metal-Ligand Bond Strength and a Comparison with the Isoelectronic FerroceneChemistry – A European Journal, 2001
- Energy Analysis of Metal-Ligand Bonding in Transition Metal Complexes with Terminal Group-13 Diyl Ligands (CO)4Fe-ER, Fe(EMe)5and Ni(EMe)4(E = B−Tl; R = Cp, N(SiH3)2, Ph, Me) Reveals Significant π Bonding in Homoleptical MoleculesJournal of the American Chemical Society, 2001
- The Nature of the Transition Metal−Carbonyl Bond and the Question about the Valence Orbitals of Transition Metals. A Bond-Energy Decomposition Analysis of TM(CO)6q (TMq = Hf2-, Ta-, W, Re+, Os2+, Ir3+)Journal of the American Chemical Society, 2000
- Reassessment of the Electronic and Molecular Structure, Bonding, and Stability of Zerovalent Nickel Acetylene Complexes by the Density Functional MethodOrganometallics, 1998
- Relativistic Effects on Metal-Ligand Bond Strengths in .pi.-Complexes: Quasi-Relativistic Density Functional Study of M(PH3)2X2 (M = Ni, Pd, Pt; X2 = O2, C2H2, C2H4) and M(CO)4(C2H4) (M = Fe, Ru, Os)Inorganic Chemistry, 1995
- Ab initio calculations on (H3P)2Pt(C2H4). The effect of alkene pyramidalization on internal rotation and alkene binding energiesJournal of the American Chemical Society, 1991
- Bonding in Ni(PH3)2(C2H4) and Ni(PH3)2(C2H2). Ab initio SCF-MO studyInorganic Chemistry, 1981
- Why do molecules interact? The origin of electron donor-acceptor complexes, hydrogen bonding and proton affinityAccounts of Chemical Research, 1977