Vibrational spectra and quantum chemical investigations on nicotinium nitrate monohydrate single crystal for anti bacterial studies

Vibrational spectra and quantum chemical investigations on nicotinium nitrate monohydrate single crystal for anti bacterial studies

Nicotinium Nitrate Monohydrate (NNM) was grown by slow evaporation method. The arrangment of the molecules and hydrogen bonding intractionsin the grown crystal were analyzed using single crystal XRD. The structure, functional groups (vibrational analysis) and electronic properties (Mulliken and HOMO...

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Bibliographic Details
Main Authors: T. Sivaranajani, T. Jayavarthanan, S. Suresh, C.S. Biju, A. Jayanthi, L. Sangeetha, C. Saveetha, A. Alfind Paul Frit, M. Muruganandam
Format: Article
Language:English
Published: Elsevier 2023-06-01
Series:Chemical Physics Impact
Subjects:
FTIR
FT- Raman
DFT
Hydrogen bond
HOMO-LUMO
Mulliken charge
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022423000403

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http://www.sciencedirect.com/science/article/pii/S2667022423000403

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