In:
Zeitschrift für Naturforschung A, Walter de Gruyter GmbH, Vol. 35, No. 5 ( 1980-5-1), p. 521-525
Abstract:
The first few bands in the photoelectron (Hel) spectra of ketenimines R 1 R 2 C-C=NR 3 (R 1 ,R 2 =H, CH 3 , C 5 H 6 , CH 2 =CH; R 3 =alkyl or aryl group) are assigned to the corresponding molecular orbitals. The assignment is based on SCF-MO calculations made at three different levels (CNDO/2, ab-initio STO-3C and 4-31G) coupled with perturbational molecular orbital analyses. The π-orbitals of the unsaturated substituents are found to interact with one of the two perpendicular π-electron systems of the〉C=C=N- residue, the critical factor being the position of attack of the substituent. The relevance of these results on the site selectivity observed in cycloaddition reactions of these species is discussed.
Type of Medium:
Online Resource
ISSN:
1865-7109
,
0932-0784
DOI:
10.1515/zna-1980-0508
Language:
English
Publisher:
Walter de Gruyter GmbH
Publication Date:
1980
detail.hit.zdb_id:
2079610-9
detail.hit.zdb_id:
124634-3
detail.hit.zdb_id:
124633-1
detail.hit.zdb_id:
2767412-5
Permalink