Theoretical modelling of the structure, reactivity, and the application of Co (II), Cu (II), and Ni (II) Schiff base complexes as sensor materials for phosgene (COCl2) gas

Theoretical modelling of the structure, reactivity, and the application of Co (II), Cu (II), and Ni (II) Schiff base complexes as sensor materials for phosgene (COCl2) gas

Co(II), Cu(II), and Ni(II) quinolyl Schiff base complexes of (E)-1-(quinolin-2-yl)-N-(quinolin-8yl)methan- imine and (E)-2-((quinolin-8-ylimino)methyl)quinolin-8-ol that were designed here, have been the focus of theoretical simulations based on density functional theory at the ɷB97XD/def2svp level...

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Bibliographic Details
Main Authors: Celine Ngwang, Felicite Majoumo-Mbe, Emmanuel N. Nfor, Mirabel Akongwi, Henry O. Edet, Edward A. Afu, Terkumbur E. Gber, Rawlings A. Timothy, Nwokolo A. Obianuju, Adedapo S. Adeyinka, Offiong E. Offiong, Hitler Louis
Format: Article
Language:English
Published: Elsevier 2023-12-01
Series:Chemical Physics Impact
Subjects:
DFT
Adsorption
Quinolyl Schiff bases
Metal complex
Phosgene gas sensor
Chemisorption
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022423001913

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http://www.sciencedirect.com/science/article/pii/S2667022423001913

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