The Journal of Organic Chemistry

Synthesis and characterization of di-disubstituted phthalocyanines

JG Young, W Onyebuagu

Index: Young, Joseph G.; Onyebuagu, William Journal of Organic Chemistry, 1990 , vol. 55, # 7 p. 2155 - 2159

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Citation Number: 476

Abstract

Conclusions Both ab initio basis sets provide a satisfactory descritpion of the most important conformational aspects in the 1, 2-dimethylenecyclohexane molecule, although the 3-21G results should be preferred with respect to the quantitative reproduction of geometry and energy data. A chairlike minimum structure is indicated, which may easily undergo ring inversion via an inversion/pseudorotation process as the most economical pathway. The ...