From silaallene to cyclotrisilanylidene

T. Veszprémi, Klára Petrov, Chinh T. Nguyen

Research output: Contribution to journalArticle

31 Citations (Scopus)

Abstract

Four possible structural isomers at the Si3H4 potential surface, a trisilene, a trisilaallene, and two structurally different silylenes, have been studied by quantum chemical methods. With the investigation of the Si-Si-Si bond angle the different structures could be distinguished and characterized, α > 100° represents silaallenes with Si=Si double bonds and C2 symmetry. In the 80° <α <100° region the Si=Si bond order is about 1.5 and the molecule is planar or almost planar and can be characterized with an in-plane lone electron pair and a delocalized π-system. A cyclic silylene with single Si-Si bonds and C 2 symmetry can be found in the α <80° region. With systematic variation of the substituents using π-donor or -acceptor groups both silylenes can be stabilized. Some possible stabilized structures of each type are suggested.

Original languageEnglish
Pages (from-to)1480-1484
Number of pages5
JournalOrganometallics
Volume25
Issue number6
DOIs
Publication statusPublished - Mar 13 2006

Fingerprint

Isomers
Molecules
Electrons
symmetry
isomers
molecules
electrons

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Organic Chemistry

Cite this

From silaallene to cyclotrisilanylidene. / Veszprémi, T.; Petrov, Klára; Nguyen, Chinh T.

In: Organometallics, Vol. 25, No. 6, 13.03.2006, p. 1480-1484.

Research output: Contribution to journalArticle

Veszprémi, T, Petrov, K & Nguyen, CT 2006, 'From silaallene to cyclotrisilanylidene', Organometallics, vol. 25, no. 6, pp. 1480-1484. https://doi.org/10.1021/om050830r
Veszprémi, T. ; Petrov, Klára ; Nguyen, Chinh T. / From silaallene to cyclotrisilanylidene. In: Organometallics. 2006 ; Vol. 25, No. 6. pp. 1480-1484.
@article{992df4dfd3f64466933ec10ff382eedf,
title = "From silaallene to cyclotrisilanylidene",
abstract = "Four possible structural isomers at the Si3H4 potential surface, a trisilene, a trisilaallene, and two structurally different silylenes, have been studied by quantum chemical methods. With the investigation of the Si-Si-Si bond angle the different structures could be distinguished and characterized, α > 100° represents silaallenes with Si=Si double bonds and C2 symmetry. In the 80° <α <100° region the Si=Si bond order is about 1.5 and the molecule is planar or almost planar and can be characterized with an in-plane lone electron pair and a delocalized π-system. A cyclic silylene with single Si-Si bonds and C 2 symmetry can be found in the α <80° region. With systematic variation of the substituents using π-donor or -acceptor groups both silylenes can be stabilized. Some possible stabilized structures of each type are suggested.",
author = "T. Veszpr{\'e}mi and Kl{\'a}ra Petrov and Nguyen, {Chinh T.}",
year = "2006",
month = "3",
day = "13",
doi = "10.1021/om050830r",
language = "English",
volume = "25",
pages = "1480--1484",
journal = "Organometallics",
issn = "0276-7333",
publisher = "American Chemical Society",
number = "6",

}

TY - JOUR

T1 - From silaallene to cyclotrisilanylidene

AU - Veszprémi, T.

AU - Petrov, Klára

AU - Nguyen, Chinh T.

PY - 2006/3/13

Y1 - 2006/3/13

N2 - Four possible structural isomers at the Si3H4 potential surface, a trisilene, a trisilaallene, and two structurally different silylenes, have been studied by quantum chemical methods. With the investigation of the Si-Si-Si bond angle the different structures could be distinguished and characterized, α > 100° represents silaallenes with Si=Si double bonds and C2 symmetry. In the 80° <α <100° region the Si=Si bond order is about 1.5 and the molecule is planar or almost planar and can be characterized with an in-plane lone electron pair and a delocalized π-system. A cyclic silylene with single Si-Si bonds and C 2 symmetry can be found in the α <80° region. With systematic variation of the substituents using π-donor or -acceptor groups both silylenes can be stabilized. Some possible stabilized structures of each type are suggested.

AB - Four possible structural isomers at the Si3H4 potential surface, a trisilene, a trisilaallene, and two structurally different silylenes, have been studied by quantum chemical methods. With the investigation of the Si-Si-Si bond angle the different structures could be distinguished and characterized, α > 100° represents silaallenes with Si=Si double bonds and C2 symmetry. In the 80° <α <100° region the Si=Si bond order is about 1.5 and the molecule is planar or almost planar and can be characterized with an in-plane lone electron pair and a delocalized π-system. A cyclic silylene with single Si-Si bonds and C 2 symmetry can be found in the α <80° region. With systematic variation of the substituents using π-donor or -acceptor groups both silylenes can be stabilized. Some possible stabilized structures of each type are suggested.

UR - http://www.scopus.com/inward/record.url?scp=33645396705&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=33645396705&partnerID=8YFLogxK

U2 - 10.1021/om050830r

DO - 10.1021/om050830r

M3 - Article

VL - 25

SP - 1480

EP - 1484

JO - Organometallics

JF - Organometallics

SN - 0276-7333

IS - 6

ER -