Molecular structures and optical properties of Schiff bases derived from pyrrole alkyl ketones and 1-aminophethalazine: DFT calculations

Molecular structures and optical properties of Schiff bases derived from pyrrole alkyl ketones and 1-aminophethalazine: DFT calculations

The density functional theory (DFT) method at the B3LYP/6-311++G (2d, 2p) level was used to compute the optimized structures of 1-aminophethalazine (I) derived Schiff bases of pyrrole alkyl ketones (II). In these Schiff bases (III, IV) each of the CN bonds has two geometrical isomers (E and Z). The...

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Bibliographic Details
Main Authors: Vahideh Hadigheh Rezvan, Samaneh Barani Pour, Jaber Jahanbin Sardroodi
Format: Article
Language:English
Published: Elsevier 2024-12-01
Series:Results in Chemistry
Subjects:
Schiff base
Pyrrole alkyl ketone
1-Aminophethalazine
Density functional theory (DFT)
Molecular structure
Optical properties
Online Access:http://www.sciencedirect.com/science/article/pii/S2211715624006039
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