Gallane-arsine, H sub 3 Gater dot AsH sub 3 : Prediction of a stable Ga-As bonded species

The structure, harmonic frequencies, and binding energy of the simplest gallane-arsine molecular adducts have been calculated with ab initio molecular orbital methods. H{sub 3}Ga{center dot}AsH{sub 3} is predicted to have a binding energy of 16 kcal mol{sup {minus}1} (MP4/HUZSP{sup **}//RHF/HUZSP{su...

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Veröffentlicht in:Journal of physical chemistry (1952) 1990-06, Vol.94:13
Hauptverfasser: Dobbs, K.D., Trachtman, M., Bock, C.W., Cowley, A.H.
Format: Artikel
Sprache:eng
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Zusammenfassung:The structure, harmonic frequencies, and binding energy of the simplest gallane-arsine molecular adducts have been calculated with ab initio molecular orbital methods. H{sub 3}Ga{center dot}AsH{sub 3} is predicted to have a binding energy of 16 kcal mol{sup {minus}1} (MP4/HUZSP{sup **}//RHF/HUZSP{sup *}) and should be observable in the gas phase.
ISSN:0022-3654
1541-5740
DOI:10.1021/j100376a006