Vibrational spectra of alkylamino substituted phthalocyanine compounds: Density functional theory calculations-Reference-Cited by-同舟云学术

Vibrational spectra of alkylamino substituted phthalocyanine compounds: Density functional theory calculations

Published:2018-08-21 Issue:09n10 Volume:22 Page:771-776
ISSN:1088-4246
Container-title:Journal of Porphyrins and Phthalocyanines
language:en
Short-container-title:J. Porphyrins Phthalocyanines

Author:

Chen Xin¹,Wang Chiming¹,Chen Yuxiang¹,Qi Dongdong¹,Jiang Jianzhuang¹

Affiliation:

1. Beijing Key Laboratory for Science and Application of Functional Molecular and Crystalline Materials, Department of Chemistry, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing 100083, China

Abstract

The infrared spectra of tetrakis(dibutylamino) phthalocyanine and octakis(dibutylamino) compounds were studied via theoretical investigations. The results reveal deep fusion of the peripheral alkylamino moieties with the phthalocyanine chromophore in the tetrakis(dibutylamino)- but not in the octakis(dibutylamino)-phthalocyanine compounds. The successive localized molecular orbitals (LMO) and bond order analyses give support for the infrared vibrational results.

Publisher

World Scientific Pub Co Pte Lt

Subject

General Chemistry

Link

https://www.worldscientific.com/doi/pdf/10.1142/S1088424618500591

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