2,6‐Di(1H‐tetrazol‐1‐yl)pyridine and its cupric chloride complex | Sciact

2,6‐Di(1H‐tetrazol‐1‐yl)pyridine and its cupric chloride complex Научная публикация

Журнал

Zeitschrift für anorganische und allgemeine Chemie
ISSN: 0044-2313 , E-ISSN: 1521-3749

Вых. Данные

Год: 2023, Том: 649, Номер: 1, Номер статьи : e202200290, Страниц : 8 DOI: 10.1002/zaac.202200290

Авторы

Grigoryev Evgeny Y. ¹ , Grigorieva Inna M. ¹ , Lyakhov Alexander S. ¹ , Ivashkevich Ludmila S. ¹ , Matulis Vadim E. ¹ , Lavrenova Ludmila G. ² , Voitekhovich Sergei V. ¹ , Grigoriev Yuri V. ¹

Организации

1	Research Institute for Physical Chemical Problems Belarusian State University Leningradskaya Street 14 Minsk 220006 Belarus
2	Nikolaev Institute of Inorganic Chemistry SB RAS Akademika Lavrentieva avenue 3 Novosibirsk 630090 Russia

2,6-Di(1H-tetrazol-1-yl)pyridine (DTP) was prepared by a four-stage procedure, including step-by-step heterocyclization of both amino groups of 2,6-diaminopyridine with triethyl orthoformate and sodium azide. According to quantum-chemical calculations and single crystal X-ray diffraction data, DTP crystallizes in the form of the thermodynamically most stable conformer and has an almost flat molecular geometry. DTP was found to react with CuCl2 ⋅ 2H2O in ethanol to give the [Cu(DTP)Cl2(H2O)]n complex, which is a 1D coordination polymer, formed at the expense of bridging DTP ligand via the tetrazole ring nitrogen atoms N4. Possible coordination cites in DTP molecule are discussed using the data of quantum chemical calculations. The pyridine ring nitrogen atom of DTP does not participate in the formation of either coordination or intermolecular hydrogen bonds. This is explained by the results of quantum chemical calculations showing that this atom is less basic than N3 and N4 atoms of DTP molecule.

Grigoryev E.Y. , Grigorieva I.M. , Lyakhov A.S. , Ivashkevich L.S. , Matulis V.E. , Lavrenova L.G. , Voitekhovich S.V. , Grigoriev Y.V.
2,6‐Di(1H‐tetrazol‐1‐yl)pyridine and its cupric chloride complex
Zeitschrift für anorganische und allgemeine Chemie. 2023. V.649. N1. e202200290 :1-8. DOI: 10.1002/zaac.202200290 WOS Scopus РИНЦ OpenAlex

Поступила в редакцию:	2 сент. 2022 г.
Опубликована online:	2 янв. 2023 г.

Web of science:	WOS:000880476400001
Scopus:	2-s2.0-85141672871
РИНЦ:	57424337
OpenAlex:	W4306846695

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