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The electronic structure of the disilavinylidene anion

✍ Scribed by Josef Kalcher; Alexander F. Sax

Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
335 KB
Volume
133
Category
Article
ISSN
0009-2614

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✦ Synopsis

The electronic structure of the disilavinylidene ( HZSi = Si) -anion is investigated with the MC SCF CI and CEPA methods. In addition to the doublet ground state ( 2B2) with an electron affinity of 1.65 eV, an excited state (4A") is found which is still stable by about 0.6 eV. 'A, 'A* *B* K(3a1)*(lb1)*(lb*)* K(2b*)*(lb,)*(lb*)* K(3a,)* '(lb,2b,)(lb2)* K(3a1)*(2b1)*(lb*)* K(3a,)2(lb2)23(lb12b2) K(3a,)*(lb2)* 3(2b,3b*) K(3a1)*(lb*)*(lb2)*2b* K(3a,)2(lb2)21(lb12b1)2b* K(3a,)*(lb2)* '(lb12b1)2b* K(3a,)*(lb2)*(2b1)*2b* K(3a1)*(lb2)*'(lb,2b1)3b* a) K= (la,)*(2a,)*. 'A, 'A2 ZA' 4A n

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