DFT study of the substituent cross-interaction effects on the conformation of substituted N-benzylideneanilines – Models of liquid crystal forming compounds: Use of 13C NMR chemical shift of the CN Carbon as a tool to predict the conformation of the molecule
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference31 articles.
1. The growth, perfection and properties of organic non-linear optical materials I. 4-nitro-4′-methyl benzylidene aniline
2. Liquid crystals of 4-octyloxy-N-(benzylidene)aniline derivatives bearing trifluoromethyl or trifluoromethoxy end groups
3. Gas-Phase Molecular Structure of MBBA (4-Methoxybenzylidene-4‘-n-butylaniline), a Mesogen, by Electron Diffraction Combined with ab Initio Calculations
4. Crystallization kinetics study on N-(p-n-alkyloxybenzylidene)-p-n-alkylanilines (nO.m compounds)
5. A switchable salicylaldimine-based achiral bent-shaped mesogen: synthesis and characterization
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3. Effects of styrene unit on molecular conformation and spectral properties of CN PhCH NPhCH CHPh CN;Journal of Molecular Structure;2018-05
4. Substituent Effects on 13C NMR and 1H NMR Chemical Shifts of CH=N in Multi-substituted Benzylideneanilines;Chinese Journal of Chemical Physics;2018-02-27
5. Cross-interaction effects of substituents on N -benzylideneanilines conformation: A DFT investigation;Journal of Molecular Structure;2017-08
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