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The ab initio equilibrium structures of germyl pseudohalides

✍ Scribed by Miklós Fehér; Tibor Pasinszki; Tamás Veszprémi

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
515 KB
Volume
205
Category
Article
ISSN
0009-2614

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✦ Synopsis

The equilibrium geometries of the germyl pseudohalides CieHJWX and GeH$CN (X=0, S and Se) have been obtained using 6-3 lG**/MP2 calculations. It was found that the -XCN derivatives of germane are strongly bent, whereas their -NCX isomers are quasilinear or linear. The calculated barrier to linearity of GeH,NCO is 48.3 cm-'. Harmonic vibrational frequencies for GeHsNCO and GeH&CN were also determined.

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