Role of carbon clusters in pyrolysis of iodomethanes |
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| Authors: | G. A. Skorobogatov D. V. Korol’kov A. G. Rebrova V. I. Baranovskii |
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| Affiliation: | (1) St. Petersburg State University, pr. Universitetskii 26, St. Petersburg, 198504, Russia |
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| Abstract: | Molecular parameters and thermodynamic functions of the carbon cluster cyclo-C12 were calculated by the B3LYP method in the aug-cc-pVDZ basis. The composition of products of iodomethane pyrolysis in the range 500–1000 K was calculated from the data obtained in combination with published data on thermodynamic function of other molecules. High experimental yield of methane and carbon (carbyne) in the iodomethane pyrolysis and the absence of even traces of ethane, 1-iodoethane, and 1,2-diiodoethane were accounted for. |
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