From Сonformational Properties of 4-(4-Tritylphenoxy)phthalonitrile Precursor to Conformational Properties of Substituted Phthalocyanines

IF 1 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY

Macroheterocycles Pub Date : 2022-01-01 DOI:10.6060/mhc214086g

N. V. Tverdova, N. Giricheva, V. Maizlish, N. Galanin, G. V. Girichev

引用次数: 0

Abstract

The conformational properties and structure of the conformers of 4-(4-tritylphenoxy)phthalonitrile (C 33 H 22 N 2 O), acting as a precursor for the synthesis of tritylphenoxy substituted phthalocyanines, were investigated by DFT method. The conformational analysis of the C 33 H 22 N 2 O molecule indicates the possibility of formation of conformers of substituted phthalocyanines with different orientations of 4-tritylphenoxy substituents, including those with a combination of cis- and trans- positions within one complex.

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从Сonformational 4-(4-三基苯氧基)邻苯二腈前体的性质到取代的酞菁的构象性质

采用离散傅立叶变换(DFT)方法研究了作为合成三基苯氧基取代酞菁的前驱体的4-(4-三基苯氧基)邻苯腈(c33h22n2o)的构象性质和结构。c33h22n2o分子的构象分析表明，4-三基苯氧基取代基的不同取向取代的酞菁可能形成构象，包括在一个配合物中有顺式和反式组合的构象。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Macroheterocycles CHEMISTRY, MULTIDISCIPLINARY-

CiteScore

2.30

自引率

21.40%

发文量

期刊介绍： The journal is a forum for the specialists investigating macroheterocyclic compounds. It publishes original experimental and theoretical works (full papers and short communications) and reviews on synthesis, structural characterization, physical and coordination chemistry as well as practical application of macroheterocycles.