ISSN:
1432-2234
Keywords:
Key words: 1
;
3-Diradicals
;
Silyl substituents
;
CASSCF
;
CASPT2
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
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
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/s002140050492
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