2000
DOI: 10.1021/jp994430r
|View full text |Cite
|
Sign up to set email alerts
|

Spin-Coupled Model of the Bonding in First-Row Transition Metal Methylene Monocations

Abstract: The ab initio spin-coupled model, which is one of the most useful formulations of modern valence bond theory, has been used to study the general characteristics of, and the variations in, the chemical bonding in MCH 2 + (M ) Sc-Co) systems. The covalent metal-methylene interaction, characteristic of Schrock complexes, exhibits simultaneously a metal to ligand σ electron donation and a ligand to metal π electron donation. The degree of σ donation decreases and that of π donation increases monotonically from ScC… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
1
1

Citation Types

0
2
0

Year Published

2001
2001
2011
2011

Publication Types

Select...
6
1

Relationship

3
4

Authors

Journals

citations
Cited by 10 publications
(2 citation statements)
references
References 50 publications
0
2
0
Order By: Relevance
“…36,[39][40][41] However, only its ground state has been extensively studied and few attempts have been made to characterize excited states. During the past two decades FeCH 2 ϩ has been the subject of numerous experimental and theoretical studies.…”
Section: B Aquo Iron Carbene Intermediate †H 2 Cbfe-oh 2 ‡ ¿mentioning
confidence: 99%
“…36,[39][40][41] However, only its ground state has been extensively studied and few attempts have been made to characterize excited states. During the past two decades FeCH 2 ϩ has been the subject of numerous experimental and theoretical studies.…”
Section: B Aquo Iron Carbene Intermediate †H 2 Cbfe-oh 2 ‡ ¿mentioning
confidence: 99%
“…The ground triplet state of VO + is described as triple bond, similar to that of Cl 4 CrO, whereas the ground quartet state of RuO + involves a covalent σ-bond and two three-electron π-bonds, similar to the bonding in O 2 . With respect to MCH 2 bonding numerous descriptions of “naked” complexes have been provided. , Metal complexes with saturated valences and MC bonds are our primary concern. Goddard and Carter 30 described a VB analysis of ClRu(CH 2 )H with an emphasis on two conformers: one with the C−Ru−H plane orthogonal to the H−C−H plane and one with the two planes parallel.…”
Section: Introductionmentioning
confidence: 99%