Forecasting Columnar Mesophases. Synthesis and Structure of Porphin Derivatives

…, SA Zdanovich, DA Akopov, AI Aleksandrov…

Index: Akopova; Zdanovich; Akopov; Aleksandrov; Pashkova Journal of Structural Chemistry, 2001 , vol. 42, # 1 p. 43 - 50

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Citation Number: 4

Abstract

Abstract This paper examines the possibility of columnar mesophase (CM) predictions in a new series of porphin derivatives: polysubstituted phthalocyanines (I) and porphyrins (II, III). In order to reveal discogens, we have calculated the molecular parameters K, K c, K s, K p, M m, and M r for 85 molecules, including compounds with few peripheral substituents. Introduction of a new electronic parameter, K e, defining the electron density distribution ...