Stability of heavier group 14 analogues of vinylidene complexes: A theoretical study

Alireza Ariafard; Zhenyang Lin

doi:10.1021/om050557t

Stability of heavier group 14 analogues of vinylidene complexes: A theoretical study

Alireza Ariafard, Zhenyang Lin^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

Abstract

Density functional calculations were carried out to study the stability of the heavier group 14 analogues of vinylidene complexes M(Cl)₂(=C= EH₂)(PH₃)₂, M(Cl)₂(=E=CH ₂)(PH₃)₂ (M = Ru, Os), Cp₂M(=C= EH₂)(Cl), and Cp₂M(=E=CH₂)(Cl) (M = Nb, Ta), where E = C, Si, Ge, Sn. The results of the calculations show that the d ⁶ osmium complexes Os(Cl)₂(=C=EH₂)(PR ₃)₂ are the most promising targets for synthesis.

Original language	English
Pages (from-to)	6283-6286
Number of pages	4
Journal	Organometallics
Volume	24
Issue number	25
DOIs	https://doi.org/10.1021/om050557t
Publication status	Published - 5 Dec 2005
Externally published	Yes

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title = "Stability of heavier group 14 analogues of vinylidene complexes: A theoretical study",

abstract = "Density functional calculations were carried out to study the stability of the heavier group 14 analogues of vinylidene complexes M(Cl)2(=C= EH2)(PH3)2, M(Cl)2(=E=CH 2)(PH3)2 (M = Ru, Os), Cp2M(=C= EH2)(Cl), and Cp2M(=E=CH2)(Cl) (M = Nb, Ta), where E = C, Si, Ge, Sn. The results of the calculations show that the d 6 osmium complexes Os(Cl)2(=C=EH2)(PR 3)2 are the most promising targets for synthesis.",

author = "Alireza Ariafard and Zhenyang Lin",

year = "2005",

month = dec,

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doi = "10.1021/om050557t",

language = "English",

volume = "24",

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journal = "Organometallics",

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TY - JOUR

T1 - Stability of heavier group 14 analogues of vinylidene complexes

T2 - A theoretical study

AU - Ariafard, Alireza

AU - Lin, Zhenyang

PY - 2005/12/5

Y1 - 2005/12/5

N2 - Density functional calculations were carried out to study the stability of the heavier group 14 analogues of vinylidene complexes M(Cl)2(=C= EH2)(PH3)2, M(Cl)2(=E=CH 2)(PH3)2 (M = Ru, Os), Cp2M(=C= EH2)(Cl), and Cp2M(=E=CH2)(Cl) (M = Nb, Ta), where E = C, Si, Ge, Sn. The results of the calculations show that the d 6 osmium complexes Os(Cl)2(=C=EH2)(PR 3)2 are the most promising targets for synthesis.

AB - Density functional calculations were carried out to study the stability of the heavier group 14 analogues of vinylidene complexes M(Cl)2(=C= EH2)(PH3)2, M(Cl)2(=E=CH 2)(PH3)2 (M = Ru, Os), Cp2M(=C= EH2)(Cl), and Cp2M(=E=CH2)(Cl) (M = Nb, Ta), where E = C, Si, Ge, Sn. The results of the calculations show that the d 6 osmium complexes Os(Cl)2(=C=EH2)(PR 3)2 are the most promising targets for synthesis.

UR - http://www.scopus.com/inward/record.url?scp=29044432166&partnerID=8YFLogxK

U2 - 10.1021/om050557t

DO - 10.1021/om050557t

M3 - Article

AN - SCOPUS:29044432166

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VL - 24

SP - 6283

EP - 6286

JO - Organometallics

JF - Organometallics

IS - 25

ER -

Stability of heavier group 14 analogues of vinylidene complexes: A theoretical study

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