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)

Jian Li; Georg Schreckenbach; Tom Ziegler

doi:10.1021/ic00116a017

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 ◽

10.1021/ic00116a017 ◽

1995 ◽

Vol 34 (12) ◽

pp. 3245-3252 ◽

Cited By ~ 50

Author(s):

Jian Li ◽

Georg Schreckenbach ◽

Tom Ziegler

Keyword(s):

Density Functional ◽

Relativistic Effects ◽

Functional Study ◽

Density Functional Study ◽

Bond Strengths ◽

Pi Complexes ◽

Metal Ligand ◽

Ligand Bond

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Density Functional Study of N2Activation by Molybdenum(III) Complexes. Unusually Strong Relativistic Effects in 4d Metal Compounds

Organometallics ◽

10.1021/om9607863 ◽

1997 ◽

Vol 16 (5) ◽

pp. 995-1000 ◽

Cited By ~ 38

Author(s):

Konstantin M. Neyman ◽

Vladimir A. Nasluzov ◽

Jutta Hahn ◽

Clark R. Landis ◽

Notker Rösch

Keyword(s):

Density Functional ◽

Relativistic Effects ◽

Functional Study ◽

Metal Compounds ◽

Density Functional Study

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A comparative density functional study of the high-pressure phases of solid ZnX, CdX, and HgX (X = S, Se, and Te): Trends and relativistic effects

The Journal of Chemical Physics ◽

10.1063/1.4730300 ◽

2012 ◽

Vol 137 (3) ◽

pp. 034705 ◽

Cited By ~ 11

Author(s):

S. Biering ◽

P. Schwerdtfeger

Keyword(s):

High Pressure ◽

Density Functional ◽

Relativistic Effects ◽

Functional Study ◽

Density Functional Study

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Relativistic Effects on Bonding in Cationic Transition-Metal-Carbene Complexes: A Density-Functional Study

Journal of the American Chemical Society ◽

10.1021/ja00106a057 ◽

1995 ◽

Vol 117 (1) ◽

pp. 495-500 ◽

Cited By ~ 79

Author(s):

Christoph Heinemann ◽

Roland H. Hertwig ◽

Ralf Wesendrup ◽

Wolfram Koch ◽

Helmut Schwarz

Keyword(s):

Transition Metal ◽

Density Functional ◽

Relativistic Effects ◽

Functional Study ◽

Carbene Complexes ◽

Density Functional Study

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A comparative density functional study of the low pressure phases of solid ZnX, CdX, and HgX: Trends and relativistic effects

The Journal of Chemical Physics ◽

10.1063/1.3675833 ◽

2012 ◽

Vol 136 (3) ◽

pp. 034504 ◽

Cited By ~ 17

Author(s):

S. Biering ◽

P. Schwerdtfeger

Keyword(s):

Density Functional ◽

Relativistic Effects ◽

Low Pressure ◽

Functional Study ◽

Density Functional Study

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The metal-ligand bond strengths in cationic gold(I) complexes. Application of approximate density functional theory

Chemical Physics Letters ◽

10.1016/0009-2614(95)00211-l ◽

1995 ◽

Vol 236 (1-2) ◽

pp. 194-200 ◽

Cited By ~ 40

Author(s):

Roland H. Hertwig ◽

Jan Hrušák ◽

Detlef Schröder ◽

Wolfram Koch ◽

Helmut Schwarz

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Bond Strengths ◽

Metal Ligand ◽

Ligand Bond ◽

Cationic Gold

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Density Functional Study of the Electronic Structures of [Co(NH3)5X](3+n)+Complexes. Insight into the Role of the 3d and 4s Orbitals in Metal−Ligand Interactions

The Journal of Physical Chemistry A ◽

10.1021/jp962201o ◽

1997 ◽

Vol 101 (23) ◽

pp. 4196-4201 ◽

Cited By ~ 5

Author(s):

Jerry C. C. Chan ◽

Philip J. Wilson ◽

Steve C. F. Au-Yeung ◽

Graham A. Webb

Keyword(s):

Electronic Structures ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Ligand Interactions ◽

Insight Into ◽

Metal Ligand

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Synthesis, Structure, and Physicochemical Properties of ((Ethylsulfanyl)porphyrazinato)cobalt(II). Metal−Ligand Bonds in Co(OESPz) and in Related Cobalt(II) Tetrapyrroles: Insights from a Density Functional Study

Inorganic Chemistry ◽

10.1021/ic9811547 ◽

1999 ◽

Vol 38 (7) ◽

pp. 1422-1431 ◽

Cited By ~ 25

Author(s):

Giampaolo Ricciardi ◽

Angela Rosa ◽

Ilaria Ciofini ◽

Alessandro Bencini

Keyword(s):

Physicochemical Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Metal Ligand

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The Metal Carbon Double Bond in Fischer Carbenes: A Density Functional Study of the Importance of Nonlocal Density Corrections and Relativistic Effects

The Journal of Physical Chemistry ◽

10.1021/j100095a024 ◽

1994 ◽

Vol 98 (44) ◽

pp. 11406-11410 ◽

Cited By ~ 27

Author(s):

Heiko Jacobsen ◽

Georg Schreckenbach ◽

Tom Ziegler

Keyword(s):

Double Bond ◽

Density Functional ◽

Relativistic Effects ◽

Functional Study ◽

Density Functional Study ◽

Carbon Double Bond ◽

Fischer Carbenes ◽

Density Corrections

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A Density Functional Study of Metal−Ligand Bonding in [(PR3)2M]+and [PR3MCl] (M = Ag, Au; R = H, Me) Complexes

Inorganic Chemistry ◽

10.1021/ic9609766 ◽

1997 ◽

Vol 36 (9) ◽

pp. 1754-1757 ◽

Cited By ~ 30

Author(s):

Graham A. Bowmaker ◽

Hubert Schmidbaur ◽

Sven Krüger ◽

Notker Rösch

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Metal Ligand

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The [2+2] Addition of Ethylene to Metal−Ligand Multiple Bonds: A Density Functional Study of Mo(E)OCl2

Organometallics ◽

10.1021/om980390m ◽

1998 ◽

Vol 17 (26) ◽

pp. 5901-5907 ◽

Cited By ~ 19

Author(s):

Kereen Monteyne ◽

Tom Ziegler

Keyword(s):

Density Functional ◽

Functional Study ◽

Multiple Bonds ◽

Density Functional Study ◽

Metal Ligand

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