TY - JOUR
T1 - On the structure and stability of singlet and triplet disilene and silylsilylene
AU - Lischka, Hans
AU - Köhler, Hans Joachim
N1 - Copyright:
Copyright 2014 Elsevier B.V., All rights reserved.
PY - 1982/1/22
Y1 - 1982/1/22
N2 - Ab initio SCΓ calculations on the lowest singlet and triplet states of disilene and silylsilylene with extended basis sets including polarization functions are reported. The twisted orthogonal structure for triplet disilene treated so far in the literature corresponds to a saddle point of second order whereas the true minimum is represented by a twisted bent structure.
AB - Ab initio SCΓ calculations on the lowest singlet and triplet states of disilene and silylsilylene with extended basis sets including polarization functions are reported. The twisted orthogonal structure for triplet disilene treated so far in the literature corresponds to a saddle point of second order whereas the true minimum is represented by a twisted bent structure.
UR - http://www.scopus.com/inward/record.url?scp=33847422116&partnerID=8YFLogxK
U2 - 10.1016/0009-2614(82)83495-7
DO - 10.1016/0009-2614(82)83495-7
M3 - Article
AN - SCOPUS:33847422116
VL - 85
SP - 467
EP - 471
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 4
ER -