Database Analysis of Transition Metal Carbonyl Bond Lengths:  Insight into the Periodicity of π Back-Bonding, σ Donation, and the Factors Affecting the Electronic Structure of the TM−C⋮O Moiety

2007 ◽  
Vol 26 (11) ◽  
pp. 2815-2823 ◽  
Author(s):  
Rosalie K. Hocking ◽  
Trevor W. Hambley
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Metal Carbonyl ◽  
Database Analysis ◽  
Factors Affecting ◽  
Bond Lengths ◽  
Back Bonding ◽  
Carbonyl Bond ◽  
Insight Into

scholarly journals Crystallographic and structural characterization of heterometallic platinum compounds. Part II. Heterobinuclear Pt compounds with Pt⋯M (M = transition or lantanide metal) > 3.0 Å

2012 ◽  
Vol 10 (6) ◽  
pp. 1709-1759 ◽  
Author(s):  
Milan Melnik ◽  
Ondrej Sprusansky ◽  
Clive Holloway
Keyword(s):  
Transition Metal ◽  
Chlorine Atom ◽  
Structural Characterization ◽  
Platinum Compounds ◽  
Factors Affecting ◽  
Bond Lengths ◽  
Trigonal Bipyramidal ◽  
Square Planar ◽  
Independent Molecules

AbstractThis review covers almost two hundred and twenty heterobinuclear platinum compounds in which Pt⋯M separation is over 3.0 Å. The M is a transition metal (Cu, Ag, Au, Ti, V, Cr, Mo, W, Mn, Re, Fe, Ru, Os, Co, Rh, Ir, Ni and Pd). There is an example of a lanthanide, Yb and a actinide, U. The Pt atom has oxidation numbers 0, +2 and +4. The Pt coordination geometries include trigonal planar Pt(0); square planar Pt(II); trigonal bipyramidal, and pseudo octahedral Pt(IV), with the most frequent being square planar. The most common ligands for Pt are P and C donor atoms, as well as a chlorine atom. The Pt — Ag distance of 3.002(1) Å is the shortest found in this series. There are examples which contain two crystallographically independent molecules, which differ mostly by degree of distortion and even one unique example, which contains eight such molecules. These are examples of distortion isomerism. Factors affecting bond lengths and angles are discussed and some ambiguities in coordination polyhedral are outlined.

scholarly journals Electronic structure calculations permit identification of the driving forces behind frequency shifts in transition metal monocarbonyls

2020 ◽  
Vol 22 (2) ◽  
pp. 781-798 ◽  
Author(s):  
Elliot Rossomme ◽  
Christianna N. Lininger ◽  
Alexis T. Bell ◽  
Teresa Head-Gordon ◽  
Martin Head-Gordon
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Driving Forces ◽  
Metal Carbonyl ◽  
Electronic Structure Calculations ◽  
Frequency Shifts ◽  
Structure Calculations

Our direct DFT decomposition of CO frequency shifts updates the paradigm for metal carbonyl binding.

The transition metal-carbonyl bond

1993 ◽  
Vol 26 (12) ◽  
pp. 628-635 ◽  
Author(s):  
Ernest R. Davidson ◽  
Kathryn L. Kunze ◽  
Francisco B. C. Machado ◽  
Subhas J. Chakravorty
Keyword(s):  
Transition Metal ◽  
Metal Carbonyl ◽  
Carbonyl Bond

Déplacements chimiques de la résonance magnétique nucléaire 13C dans les complexes carbonylés octaédriques des métaux de transition du groupe VIB. Effet écran produit par les électrons d non-liants du métal

1977 ◽  
Vol 55 (23) ◽  
pp. 4056-4060 ◽  
Author(s):  
Daniel Cozak ◽  
Ian S. Butler
Keyword(s):  
Electronic Structure ◽  
Chemical Shift ◽  
Metal Carbonyl ◽  
Shielding Effect ◽  
Chemical Shielding ◽  
Carbonyl Ligands ◽  
Résonance Magnétique ◽  
Carbonyl Bond ◽  
D Orbitals ◽  
C Nmr

The 13C nmr shielding effect at the carbonyl ligands due to the paramagnetic current in the non-bonding d orbitals of the metal in the group VIB M(CO)6 complexes has been evaluated. For these complexes, the only contribution of significant importance to the chemical shielding calculated for the carbonyl ligands is opposite to that observed experimentally. The carbonyl chemical shift produced by substitution of one of the carbonyl ligands is discussed in terms of electronic structure of the metal and the metal–carbonyl bond lengths in the M(CO)5L complexes.

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