Treatment of Substitution and Rearrangement Mechanisms of Transition Metal Complexes with Quantum Chemical Methods

2005 ◽  
Vol 105 (6) ◽  
pp. 2003-2038 ◽  
Author(s):  
François P. Rotzinger
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Quantum Chemical ◽  
Chemical Methods ◽  
Quantum Chemical Methods

scholarly journals Response to Comment on “Observation of alkaline earth complexes M(CO)8 (M = Ca, Sr, or Ba) that mimic transition metals”

Science ◽  
2019 ◽  
Vol 365 (6453) ◽  
pp. eaay5021 ◽  
Author(s):  
Lili Zhao ◽  
Sudip Pan ◽  
Mingfei Zhou ◽  
Gernot Frenking
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Quantum Chemical ◽  
Alkaline Earth ◽  
Chemical Bonds ◽  
Chemical Methods ◽  
Quantum Chemical Methods

Landis et al. claim in their comment that Ca does not bind like a transition metal in Ca(CO)8. We reject their statement, which is based on a misconception of bonding models and misleading application and interpretation of quantum chemical methods for analyzing chemical bonds.

scholarly journals Quantum-chemical insights into mixed-valence systems: within and beyond the Robin–Day scheme

2014 ◽  
Vol 43 (14) ◽  
pp. 5067-5088 ◽  
Author(s):  
M. Parthey ◽  
M. Kaupp
Keyword(s):  
Transition Metal ◽  
Quantum Chemical ◽  
Mixed Valence ◽  
Chemical Methods ◽  
Quantum Chemical Methods

The application of quantum-chemical methods to both organic and transition-metal mixed-valence systems is reviewed, with particular emphasis on how to describe correctly delocalisation vs. localisation near the borderline between Robin–Day classes II and III.

scholarly journals New bonding modes of carbon and heavier group 14 atoms Si–Pb

2014 ◽  
Vol 43 (14) ◽  
pp. 5106-5139 ◽  
Author(s):  
Gernot Frenking ◽  
Ralf Tonner ◽  
Susanne Klein ◽  
Nozomi Takagi ◽  
Takayazu Shimizu ◽  
...  
Keyword(s):  
Transition Metal ◽  
Quantum Chemical ◽  
Donor Ligands ◽  
Chemical Bonds ◽  
Group 14 ◽  
Chemical Methods ◽  
Quantum Chemical Methods ◽  
Donor Acceptor ◽  
Metal Fragment

Molecules which possess chemical bonds where a bare group-14 atom C–Pb is bonded to σ-donor ligands L or to a transition metal fragment [TM] through donor–acceptor interactions are discussed together with an analysis of the bonding situation with modern quantum chemical methods.

Quantum-chemical study of transition metal complexes with benzene-1,2-dithiolate

Polyhedron ◽  
2011 ◽  
Vol 30 (2) ◽  
pp. 307-314 ◽  
Author(s):  
Stanislava Šoralová ◽  
Martin Breza ◽  
Martin Gróf
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study

Exploring the potential of novel transition metal complexes derived from ONO donor type ligand: a quantum chemical study

2019 ◽  
Vol 25 (9) ◽  
Author(s):  
Shamraiz Hussain Talib ◽  
Sajjad Hussain ◽  
Shabbir Muhammad ◽  
Sambath Baskaran ◽  
Javed Iqbal ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Donor Type
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