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

被引：2

作者：

Slootweg, JC ^{[1
]}

Ehlers, AW ^{[1
]}

Lammertsma, K ^{[1
]}

机构：

[1] Vrije Univ Amsterdam, Dept Organ & Inorgan Chem, Fac Sci, NL-1081 HV Amsterdam, Netherlands

来源：

PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS | 2004年 / 179卷 / 4-5期

关键词：

DFT calculations; isomerism; phosphasilabicyclobutane;

D O I：

10.1080/10426500490427187

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

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.

引用

页码：803 / 807

页数：5

共 17 条

[1]

BECKE AD, 1988, PHYS REV A, V37, P785, DOI DOI 10.1103/PHYS.REV.B.37-785

[2] THERMAL ISOMERIZATION OF CYCLOBUTENE [J].

CARR, RW ;

WALTERS, WD .

JOURNAL OF PHYSICAL CHEMISTRY, 1965, 69 (03) :1073-&

[3] THE THERMAL ISOMERIZATION OF CYCLOBUTENE [J].

COOPER, W ;

WALTERS, WD .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1958, 80 (16) :4220-4224

[4] A facile synthesis of diphosphasilacyclopropanes and 1,3-diphospha-2,4-disilabicyclo[1.1.0]butanes and an ab initio study of diphosphadisilabicyclo[1.1.0.]butanes and their respective 1,3-diene isomers [J].

Driess, M ;

Pritzkow, H ;

Rell, S ;

Janoschek, R .

INORGANIC CHEMISTRY, 1997, 36 (23) :5212-5217

[5] THERMAL UNIMOLECULAR ISOMERIZATION OF BICYCLOBUTANE [J].

FREY, HM ;

STEVENS, IDR .

TRANSACTIONS OF THE FARADAY SOCIETY, 1965, 61 (505P) :90-&

[6]

Haber S, 1999, CHEM-EUR J, V5, P1581, DOI 10.1002/(SICI)1521-3765(19990503)5:5<1581::AID-CHEM1581>3.0.CO

[7]

2-2

[8] The first 1,3-disilabicyclo[1.1.0]butane with long-bridge silicon-silicon bond [J].

Iwamoto, T ;

Yin, DH ;

Kabuto, C ;

Kira, M .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2001, 123 (50) :12730-12731

[9]

MATHEY F, 2001, PHOSPHORUS CARBON HE, P683

[10] ISOMERIZATION OF BICYCLO[1.1.0]BUTANE TO BUTADIENE [J].

NGUYEN, KA ;

GORDON, MS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (13) :3835-3847

← 1 2 →