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Croatica Chemica Acta, Vol. 65 No. 3, 1992.

Izvorni znanstveni članak

Calculations on Fluorine Bridged Carbocations

Michael A. McAllister ; Department of Chemistry, University of Toronto, Toronto, Ontario, Canada M5S 1A1
Thomas T. Tidwell ; Department of Chemistry, University of Toronto, Toronto, Ontario, Canada M5S 1A1

Puni tekst: engleski, pdf (41 MB) str. 633-653 preuzimanja: 118* citiraj
APA 6th Edition
McAllister, M.A. i Tidwell, T.T. (1992). Calculations on Fluorine Bridged Carbocations. Croatica Chemica Acta, 65 (3), 633-653. Preuzeto s https://hrcak.srce.hr/137123
MLA 8th Edition
McAllister, Michael A. i Thomas T. Tidwell. "Calculations on Fluorine Bridged Carbocations." Croatica Chemica Acta, vol. 65, br. 3, 1992, str. 633-653. https://hrcak.srce.hr/137123. Citirano 26.02.2021.
Chicago 17th Edition
McAllister, Michael A. i Thomas T. Tidwell. "Calculations on Fluorine Bridged Carbocations." Croatica Chemica Acta 65, br. 3 (1992): 633-653. https://hrcak.srce.hr/137123
Harvard
McAllister, M.A., i Tidwell, T.T. (1992). 'Calculations on Fluorine Bridged Carbocations', Croatica Chemica Acta, 65(3), str. 633-653. Preuzeto s: https://hrcak.srce.hr/137123 (Datum pristupa: 26.02.2021.)
Vancouver
McAllister MA, Tidwell TT. Calculations on Fluorine Bridged Carbocations. Croatica Chemica Acta [Internet]. 1992 [pristupljeno 26.02.2021.];65(3):633-653. Dostupno na: https://hrcak.srce.hr/137123
IEEE
M.A. McAllister i T.T. Tidwell, "Calculations on Fluorine Bridged Carbocations", Croatica Chemica Acta, vol.65, br. 3, str. 633-653, 1992. [Online]. Dostupno na: https://hrcak.srce.hr/137123. [Citirano: 26.02.2021.]

Sažetak
Ab initio molecular orbital calculations of the ions C3H4F3+ at the MP4SDQ/6-31G**//HF/6-31G* + ZPE level lead to the prediction that CH3FCH2CF2+ 43 is the global minimum, and that the ion CF3CH2CH2+ 40 can rearrange to 43 by a 1,3-fluorine migration via the fluorine bridged cation 42. Calculations of the ions C2H2F3 + at the MP4/G-31G**//HF/6-31G* + ZPVE level lead to the prediction that CF3CH2 + 50 will spontaneously isomerize without a barrier by 1,2-fluoride migration to CH2FCF2+ 52.

Hrčak ID: 137123

URI
https://hrcak.srce.hr/137123

Posjeta: 211 *