Article ID Journal Published Year Pages File Type
5275705 Tetrahedron Letters 2008 5 Pages PDF
Abstract

Molecular structures of two oximes derived from salicylaldehyde and 2-hydroxynaphthaldehyde were studied using the B3LYP functional and the basis set 6-31G(d). This study discusses the electron/proton localization in the two oximes qualitatively based on the calculated infrared frequencies, two types of atomic charges, and the aromaticity index HOMA.

Graphical abstractDownload full-size image

Related Topics
Physical Sciences and Engineering Chemistry Organic Chemistry
Authors
,