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An Experimental and Theoretical Study of Gaseous Products in the Radiolysis of Germane/Ethylene Mixtures

✍ Scribed by Paola Antoniotti; Paola Benzi; Mario Castiglioni; Paolo Volpe

Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
210 KB
Volume
1999
Category
Article
ISSN
1434-1948

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✦ Synopsis

Gas-phase radical reactions of germane/ethylene mixtures performed with a 6-311G(3df,2p) basis set. Reaction enthalpies and heats of formation of the species have also have been investigated using theoretical calculations and radiolysis techniques. Ab initio quantum chemical been determined using theoretical calculations. From irradiation of GeH 4 /C 2 H 4 mixtures, condensed products and calculations have been performed on reactions starting from GeH x (x = 0-3) radicals and C 2 H 4 . The geometrical structure volatile species were obtained. Composition, amount, and characteristics of the condensed phase products are reported. and relative stability of isomeric GeC 2 H n (n = 4-7) radicals have been investigated and restricted to the species in which

The volatile compounds were identified and their amounts determined. From experimental results and theoretical a C-C bond is present, at the MP2(FROZEN) level of calculation with double-ΞΆ quality basis sets. To better calculations some hypotheses on the reaction mechanisms are presented. evaluate the relative stability of the investigated species, single-point calculations at the QCISD(T) level were This paper will deal with the gas-phase reactivity of

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