Computational Chemistry: Sulfamic Acid Catalyzed PEG-400 Mediated Synthesis, Molecular Structure, HOMO–LUMO, UV-visible, Vibrational, and Reactivity Descriptors Analysis of 2-(Furan-2-yl)-1H-benzo[d]imidazole

Computational Chemistry: Sulfamic Acid Catalyzed PEG-400 Mediated Synthesis, Molecular Structure, HOMO–LUMO, UV-visible, Vibrational, and Reactivity Descriptors Analysis of 2-(Furan-2-yl)-1H-benzo[d]imidazole

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2-(Furan-2-yl)-1H-benzo[d]imidazole (2-FBI) is synthesized and investigated using computational chemistry in the present analysis. PEG-400 and catalytic amount of sulfamic acid presents green protocol for the synthesis of 2-FBI. FT-IR, 1H NMR, and 13C NMR spectroscopic methods were used to characte...

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Bibliographic Details
Main Authors: Vishnu Ashok Adole, Bapu Sonu Jagdale, Ravindra Haribhau Waghchaure
Format: Article
Language:English
Published: Universidade Federal de Mato Grosso do Sul 2021-12-01
Series:Orbital: The Electronic Journal of Chemistry
Subjects:
DFT; 2-(Furan-2-yl)-1H-benzo[d]imidazole; HOMO-LUMO; Molecular electrostatic surface potential
Online Access:https://periodicos.ufms.br/index.php/orbital/article/view/15539

Internet

https://periodicos.ufms.br/index.php/orbital/article/view/15539

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