Silynes (RC≡SiR′) and disilynes (RSi≡SiR′): Why are less bonds worth energetically more?

David Danovich; Franois Ogliaro; Miriam Karni; Yitzhak Apeloig; David L. Cooper; Sason Shaik

doi:10.1002/1521-3773(20011105)40:21<4023::AID-ANIE4023>3.0.CO;2-Z

Silynes (RC≡SiR′) and disilynes (RSi≡SiR′): Why are less bonds worth energetically more?

David Danovich
, Franois Ogliaro
, Miriam Karni
, Yitzhak Apeloig^*
, David L. Cooper
, Sason Shaik

^*Corresponding author for this work

Institute of Chemistry

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

66 Scopus citations

Abstract

Bond stabilization through bending! Valence bond analysis shows that the σ frames of 1-3 (1: E = Si, E′ = C; 2: E = E′ = Si; 3: E = E′ = C) are stabilized by trans bending (B), while π bonding is weakened. In acetylene (3) π bonding overrides the σ frame and establishes a linear molecule (3L). In contrast, the σ frames dominate in silyne (1) and disilyne (2) and lead to trans-bent structures (1B and 2B).

Original language	English
Pages (from-to)	4023-4026
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	40
Issue number	21
DOIs	https://doi.org/10.1002/1521-3773(20011105)40:21<4023::AID-ANIE4023>3.0.CO;2-Z
State	Published - 5 Nov 2001

Keywords

Bond theory
Multiple bonds
Silicon
Valence bond calculations

Access to Document

10.1002/1521-3773(20011105)40:21<4023::AID-ANIE4023>3.0.CO;2-Z

Cite this

@article{76789048164a4b939ac1e62c68cbc423,

title = "Silynes (RC≡SiR′) and disilynes (RSi≡SiR′): Why are less bonds worth energetically more?",

abstract = "Bond stabilization through bending! Valence bond analysis shows that the σ frames of 1-3 (1: E = Si, E′ = C; 2: E = E′ = Si; 3: E = E′ = C) are stabilized by trans bending (B), while π bonding is weakened. In acetylene (3) π bonding overrides the σ frame and establishes a linear molecule (3L). In contrast, the σ frames dominate in silyne (1) and disilyne (2) and lead to trans-bent structures (1B and 2B).",

keywords = "Bond theory, Multiple bonds, Silicon, Valence bond calculations",

author = "David Danovich and Franois Ogliaro and Miriam Karni and Yitzhak Apeloig and Cooper, \{David L.\} and Sason Shaik",

year = "2001",

month = nov,

day = "5",

doi = "10.1002/1521-3773(20011105)40:21<4023::AID-ANIE4023>3.0.CO;2-Z",

language = "אנגלית",

volume = "40",

pages = "4023--4026",

journal = "Angewandte Chemie - International Edition",

issn = "1433-7851",

publisher = "John Wiley and Sons Ltd",

number = "21",

}

TY - JOUR

T1 - Silynes (RC≡SiR′) and disilynes (RSi≡SiR′)

T2 - Why are less bonds worth energetically more?

AU - Danovich, David

AU - Ogliaro, Franois

AU - Karni, Miriam

AU - Apeloig, Yitzhak

AU - Cooper, David L.

AU - Shaik, Sason

PY - 2001/11/5

Y1 - 2001/11/5

N2 - Bond stabilization through bending! Valence bond analysis shows that the σ frames of 1-3 (1: E = Si, E′ = C; 2: E = E′ = Si; 3: E = E′ = C) are stabilized by trans bending (B), while π bonding is weakened. In acetylene (3) π bonding overrides the σ frame and establishes a linear molecule (3L). In contrast, the σ frames dominate in silyne (1) and disilyne (2) and lead to trans-bent structures (1B and 2B).

AB - Bond stabilization through bending! Valence bond analysis shows that the σ frames of 1-3 (1: E = Si, E′ = C; 2: E = E′ = Si; 3: E = E′ = C) are stabilized by trans bending (B), while π bonding is weakened. In acetylene (3) π bonding overrides the σ frame and establishes a linear molecule (3L). In contrast, the σ frames dominate in silyne (1) and disilyne (2) and lead to trans-bent structures (1B and 2B).

KW - Bond theory

KW - Multiple bonds

KW - Silicon

KW - Valence bond calculations

UR - https://www.scopus.com/pages/publications/0035813935

U2 - 10.1002/1521-3773(20011105)40:21<4023::AID-ANIE4023>3.0.CO;2-Z

DO - 10.1002/1521-3773(20011105)40:21<4023::AID-ANIE4023>3.0.CO;2-Z

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

AN - SCOPUS:0035813935

SN - 1433-7851

VL - 40

SP - 4023

EP - 4026

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 21

ER -

Silynes (RC≡SiR′) and disilynes (RSi≡SiR′): Why are less bonds worth energetically more?

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this