Conformational stability, the spectroscopic (FT-IR and UV), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 6,8-diphenylimidazo[1,2-α]pyrazine molecule by ab initio HF and density functional methods
Abstract
The conformational analysis of 6,8-diphenylimidazo[1,2-α]pyrazine molecule (abbreviated as 68DIP) was performed by using B3LYP/6-31G(d) level of theory to find the most stable form. Two staggered stable conformers were observed on the torsional potential
URI
https://doi.org/10.1016/j.saa.2011.06.021http://dspace.beu.edu.tr:8080/xmlui/handle/20.500.12643/13443
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