Isomerization of 2-phospha-4-sila-bicyclo[1.1.0]butane

J. Chris Slootweg; Andreas W. Ehlers; Koop Lammertsma

doi:10.1080/10426500490427187

Isomerization of 2-phospha-4-sila-bicyclo[1.1.0]butane

J. Chris Slootweg, Andreas W. Ehlers, Koop Lammertsma

Vrije Universiteit Amsterdam

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

3 Citations (Scopus)

Abstract

In analogy with the valence isomerism of the hydrocarbons bicyclobutane, 1,3-butadiene and cyclobutene, the rearrangements for 2-phospha-4-sila- bicyclo[1.1.0]butane were studied at the B3LYP/6-311+G** level of theory. The monocyclic 1,2-dihydro-1,2-phosphasilete is shown to be the thermodynamically preferred product, in contrast to the isomerism of the hydrocarbons that favors the 1,3-butadiene structure.

Original language	English
Pages (from-to)	803-807
Number of pages	5
Journal	Phosphorus, Sulfur and Silicon and the Related Elements
Volume	179
Issue number	4-5
DOIs	https://doi.org/10.1080/10426500490427187
Publication status	Published - Apr 2004
Externally published	Yes

Keywords

DFT calculations
Isomerism
Phosphasilabicyclobutane

ASJC Scopus subject areas

Biochemistry
Organic Chemistry
Inorganic Chemistry

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10.1080/10426500490427187

Cite this

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title = "Isomerization of 2-phospha-4-sila-bicyclo[1.1.0]butane",

abstract = "In analogy with the valence isomerism of the hydrocarbons bicyclobutane, 1,3-butadiene and cyclobutene, the rearrangements for 2-phospha-4-sila- bicyclo[1.1.0]butane were studied at the B3LYP/6-311+G** level of theory. The monocyclic 1,2-dihydro-1,2-phosphasilete is shown to be the thermodynamically preferred product, in contrast to the isomerism of the hydrocarbons that favors the 1,3-butadiene structure.",

keywords = "DFT calculations, Isomerism, Phosphasilabicyclobutane",

author = "Slootweg, {J. Chris} and Ehlers, {Andreas W.} and Koop Lammertsma",

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T1 - Isomerization of 2-phospha-4-sila-bicyclo[1.1.0]butane

AU - Slootweg, J. Chris

AU - Ehlers, Andreas W.

AU - Lammertsma, Koop

PY - 2004/4

Y1 - 2004/4

N2 - In analogy with the valence isomerism of the hydrocarbons bicyclobutane, 1,3-butadiene and cyclobutene, the rearrangements for 2-phospha-4-sila- bicyclo[1.1.0]butane were studied at the B3LYP/6-311+G** level of theory. The monocyclic 1,2-dihydro-1,2-phosphasilete is shown to be the thermodynamically preferred product, in contrast to the isomerism of the hydrocarbons that favors the 1,3-butadiene structure.

AB - In analogy with the valence isomerism of the hydrocarbons bicyclobutane, 1,3-butadiene and cyclobutene, the rearrangements for 2-phospha-4-sila- bicyclo[1.1.0]butane were studied at the B3LYP/6-311+G** level of theory. The monocyclic 1,2-dihydro-1,2-phosphasilete is shown to be the thermodynamically preferred product, in contrast to the isomerism of the hydrocarbons that favors the 1,3-butadiene structure.

KW - DFT calculations

KW - Isomerism

KW - Phosphasilabicyclobutane

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DO - 10.1080/10426500490427187

M3 - Article

AN - SCOPUS:3042611871

SN - 1042-6507

VL - 179

SP - 803

EP - 807

JO - Phosphorus, Sulfur and Silicon and the Related Elements

JF - Phosphorus, Sulfur and Silicon and the Related Elements

IS - 4-5

ER -

Isomerization of 2-phospha-4-sila-bicyclo[1.1.0]butane

Abstract

Keywords

ASJC Scopus subject areas

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