Issue 6, 1997

Conformational Properties of Cyclododeca-1,5,9-triyne†

Abstract

Semi-empirical AM1 SCF-MO calculations are used to calculate the structure optimization and conformational interconversion pathways in cyclododeca-1,5,9-triyne; two symmetrical energy-minimum conformations, viz., chair (D 3 ) and twist-boat (C 2 ), with similar strain energies are found which are separated by a fairly low (9.6 kJ mol 1 ) energy barrier.

Article information

Article type
Paper

J. Chem. Res. (S), 1997, 210-211

Conformational Properties of Cyclododeca-1,5,9-triyne†

I. Yavari, A. (Arman) Taherpour and A. Jabbari, J. Chem. Res. (S), 1997, 210 DOI: 10.1039/A700723J

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