Combined experimental and computational approach
to the structure of a new nickel(II) complex
with tridentate Schiff base ligand
- Received: December, 18, 2020
- Accepted for publication: January, 12, 2021
- DOI 10.26902/JSC_id74431
- Views: 524
1 Department of Chemistry, Prabhu Jagatbandhu College, Howrah, West Bengal, India
2 Department of Chemistry, Narasinha Dutt College, Howrah, West Bengal, Republic of India
3 Department of Chemistry, Howard University, Washington, DC, USA
4 Interdisciplinary Center for Nanotoxicity, Department of Chemistry and Biochemistry, Jackson State University, Jackson, MS, USA
A combined experimental and theoretical study on a new complex [NiL(NCS)], derived from the Schiff base ligand HL, (E)-2-methoxy-6-(((pyridin-2-ylmethyl)imino)methyl)phenol is described herein. X-ray structure reveals that metal center of the complex has a square planar environment with a N3O donor set from the ligand and terminal thiocyanate anion. In the solid state, π—π stacking interactions lead to a one-dimensional arrangement with alternating short and long Ni…Ni distances. The different isomeric forms of the ligand can provide alternative molecular structures for the nickel(II) complex. Density functional theory calculations at B3LYP/6-311+G(d,p) level were performed to elucidate the structure and
stability of the possible isomeric forms of the complex.
Keywords: crystal structure, density functional theory, nickel(II), Schiff base, isomers
|
Импакт-фактор 2024 1.4 |
||||
|
Срок опубликования 4 мес |
||||
|
XII Национальная кристаллохимическая конференция Апатиты, 4–12 июля 2026 г. |
|
100-лет со дня рождения
Началась публикация |
Уважаемые авторы и подписчики “Журнала структурной химии”,
в свободном доступе
архив ЖСХ до 2021 года ("Номера").
Спецвыпуски
Самое интересное
Статьи, к которым чаще всего обращаются посетители
Рубрики