AB-INITIO PREDICTION OF RING STRAIN ENTHALPIES OF CYCLIC AMINE-BORANES

Authors
GILBERT TM
Citation
Tm. Gilbert, AB-INITIO PREDICTION OF RING STRAIN ENTHALPIES OF CYCLIC AMINE-BORANES, Tetrahedron letters, 39(50), 1998, pp. 9147-9150
Citations number
5
Categorie Soggetti
Chemistry Inorganic & Nuclear
Journal title
Tetrahedron letters → ACNP
ISSN journal
00404039
Volume
39
Issue
50
Year of publication
1998
Pages
9147 - 9150
Database
ISI
SICI code
0040-4039(1998)39:50<9147:APORSE>2.0.ZU;2-8
Abstract
Ring strain enthalpies for a series of cyclic amine-boranes (1-azonia- 2-boratacycloalkanes) were calculated from MP4(SDTQ)/6-31G//MP2/6-31G energies by the group equivalent method. Small rings exhibit smaller RSEs than do the corresponding cycloalkanes; larger rings exhibit RSE s essentially identical to those of the corresponding cycloalkanes. (C ) 1998 Elsevier Science Ltd. All rights reserved.