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Bonding Properties of Diphosphacyclobutadienes
Author(s) -
Veszprémi Tamás,
Gleiter Rolf,
Fluck Ekkehard,
Svara Jürgen,
Neumüller Bernhard
Publication year - 1988
Publication title -
chemische berichte
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 0009-2940
DOI - 10.1002/cber.19881211129
Subject(s) - mndo , chemistry , ring (chemistry) , spectral line , interpretation (philosophy) , crystallography , computational chemistry , stereochemistry , molecule , organic chemistry , physics , astronomy , computer science , programming language
The He(I) photoelectron (PE) spectra of the diphosphacyclobutadienes 2 and 3 have been recorded. The interpretation of the first PE bands is based on SCF‐MO calculations (MNDO method). It is found that the first two bands correspond to π‐MOs which are mainly localized in the four‐membered ring. The first two bands are shifted towards higher energy in the PE spectrum of 3 ; we ascribe this to an electron transfer from the four‐membered ring in 3 to the phenyl substituents.