Prediction of magnesium tetraethynylporphyrin’s solubility by theoretical calculation-Reference-Cited by-同舟云学术

Prediction of magnesium tetraethynylporphyrin’s solubility by theoretical calculation

Published:2019-10 Issue:10 Volume:23 Page:1144-1148
ISSN:1088-4246
Container-title:Journal of Porphyrins and Phthalocyanines
language:en
Short-container-title:J. Porphyrins Phthalocyanines

Author:

Ogumi Keisuke¹,Matsuo Yutaka²³

Affiliation:

1. Tokyo Metropolitan Industrial Technology Research Institute, 2-4-10 Aomi, Koto-ku, Tokyo 135-0064, Japan

2. Institutes of Innovation for Future Society, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603, Japan

3. Department of Mechanical Engineering, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan

Abstract

To investigate the solubility of porphyrin derivatives, their intermolecular interaction energies were calculated by the counterpoise method at the B97D3/6-31G(d) level. It was found that the calculated intermolecular interaction energies corresponded to the solubility measured by UV-vis spectroscopy. This correlation was consistent with differences in substituents and in the metals in the porphyrin core.

Funder

Grants-in-Aid for Scientific Research JSPS KAKENHI

Publisher

World Scientific Pub Co Pte Lt

Subject

General Chemistry

Link

https://www.worldscientific.com/doi/pdf/10.1142/S1088424619501475

Reference32 articles.

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