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Germanium-germanium multiple bonds: The singlet electronic ground state of Ge2H2

✍ Scribed by Roger S. Grev; Bradley J. Deleeuw; Henry F. Schaefer III

Publisher: Elsevier Science
Year: 1990
Tongue: English
Weight: 699 KB
Volume: 165
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(90)85439-j

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✦ Synopsis

We have investigated the singlet states of the potentially Ge=Ge triply bonded parent compound GeaH, by ab initio theoretical techniques. The stable minima and their relative energies are surprisingly similar to those found in previous studies of S&Hz. Thus, we find a dibridged structure to be lowest lying, with germylidene and tram-bent structures about 10 and 18 kcal/mol higher, respectively. As in S&Hz, the linear structure IS not a minimum on the potential energy surface.

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