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

65 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

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

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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).",

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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

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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).

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KW - Multiple bonds

KW - Silicon

KW - Valence bond calculations

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

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