DL-3-Aminoisobutyric acid: vibrational, NBO and AIM analysis of N–H⋯O bonded-zwitterionic dimer model

A zwitterionic dimer model constructed of inter-molecular –N–H⋯O bonding has been proposed for the solid sample of DL-3-Aminoisobutyric acid consistent with IR absorption and Raman spectral features measured in the 3500–400/50 cm−1. This zwitterionic dimer model in water as solvent has been computed...

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Bibliographic Details
Main Authors: Shashikala Yalagi, Jagdish Tonannavar, Jayashree Tonannavar
Format: Article
Language:English
Published: Elsevier 2019-06-01
Series:Heliyon
Subjects:
IR
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844019325162