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Theoretical studies of fluorocarbons part III. Primary, secondary, tertiary and quaternary centres by David L. Cooper; Neil L. Allan; Richard L. Powell is a Chemistry article available to read on EtoBox.

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Quantum chemical calculations are used to examine the differences between fully fluorinated alkanes with primary, secondary, tertiary and quaternary centres. Systems studied include C(CF3)nF4-n (n=O-4), CF3[C(CF3)21pCF3 (p=l-5), (CF3)2CFtC(CF3)21sCF[CF3)2 (q=O-3) and CF3CF2[C(CF3)21rCF2CF3 (r=O-3). In addition we compare systems which react with arenethiolate nucleophlles under mild conditions (e.g. cisperfluorodecalin and perfluoro(methylcyclohexane) 1 and those which do not (e.g. perfluorohexane and perfluorocyclohexane). A crude "lattice energy" model is used to investigate the likelihood of electron transfer, which is one possible mechanism for the unexpected reactivity.

Who reads Theoretical studies of fluorocarbons part III. Primary, secondary, tertiary and quaternary centres?

Author

David L. Cooper; Neil L. Allan; Richard L. Powell

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0022-1139)

Published

1990

Language

EN

Field

Chemistry (Physical Sciences)