ISSN:
1432-2234
Schlagwort(e):
Key words: 1
;
3-Diradicals
;
Silyl substituents
;
CASSCF
;
CASPT2
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
Abstract. Ab initio calculations on the lowest singlet and triplet states of 2,2-disilylcyclopentane-1,3-diyl find that the singlet lies well below the triplet. The C 2 singlet diradical is calculated to be a minimum on the potential energy surface with an enthalpic barrier to ring closure of ΔH
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/s002140050492
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