Coordination compounds with subporphyrazine may exist: DFT quantum chemical prediction for M(<scp>ii</scp>) complexes with a given macrocyclic ligand (M = Ti

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Coordination compounds with subporphyrazine may exist: DFT quantum chemical prediction for M(ii) complexes with a given macrocyclic ligand (M = Ti–Zn)

Published:2024 Issue:4 Volume:48 Page:1661-1670
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Chachkov Denis V.¹^ORCID,Mikhailov Oleg V.²^ORCID

Affiliation:

1. Kazan Department of Joint Supercomputer Center of Russian Academy of Sciences – Branch of Federal Scientific Center Scientific Research Institute for System Analysis of the RAS, Lobachevskii Street 2/31, 420111 Kazan, Russia

2. Department of Analytical Chemistry, Certification and Quality Management, Kazan National Research Technological University, K. Marx Street 68, 420015 Kazan, Russia

Abstract

The existence of macrotricyclic complexes containing M(ii) ion (M = Ti–Zn) and double deprotonated form of subporphyrazine that is unknown for these 3d-elements, was shown by quantum-chemical calculation using three various DFT methods.

Funder

Russian Academy of Sciences

Ministry of Science and Higher Education of the Russian Federation

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/NJ/D3NJ05181A

Reference52 articles.

1. Some new developments in the chemistry of metallophthalocyanines

2. Self-assembling systems based on porphirins

3. 40 years with porphyrazines

4. A. L.Thomas , Phthalocyanines. Research & Applications , CRC Press , 1990 . p. 304

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