Article ID Journal Published Year Pages File Type
1409591 Journal of Molecular Structure 2012 11 Pages PDF
Abstract
► The properties of nitroimidazoles are of interest due to their pharmaceutical importance. ► The structure, vibrational, electronic and NLO activity of 5-chloro-1-methyl-4-nitro-1H-imidazole (CMNI) was studied. ► The low frontier orbital energy gap explains the eventual charge transfer interaction taking place within the CMNI. ► CMNI exhibited good NLO activity.
Related Topics
Physical Sciences and Engineering Chemistry Organic Chemistry
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