立体異性体としての第1,2,3級モノ置換アルカンの個数

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概要

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• Monosubstituted alkanes are counted as stereoisomers by means of Fujitas proligand method (Fujita S (2005) Theor. Chem. Acc. 113:73-79, 113:80-86, Fujita S (2006) Theor. Chem. Acc. 115:37-53), where the numbers of primary, secondary, and tertiary ones are calculated after deriving respective functional equations. The procedures of counting are programmed by means of the Maple programming language. They are executed and the results collected up to carbon content 100 in a tabular form. By omitting the sphericities of the recursive functions a(x), c(x2), and b(x) so as to give a single dummy variable r(x), such functional equations with sphericity are transformed into Pólyas functional equations without sphericity, which are applied to the enumeration of primary, secondary, and tertiary monosubstituted alkanes as graphs (chemically, constitutional isomers). The results of Fujitas proligand method are compared with those based on Pólyas theorem in connection with several cases of pseudoasymmetry.

著者

• FUJITA Shinsaku

  Department of Chemistry and Materials Technology, Kyoto Insititute of Technology

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