Journal article
Conformation of protonated trans- N-benzylideneaniline: a revisit
Journal of molecular structure. Theochem, v 634(1), pp 311-314
2003
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
The change in the degree of planarity of trans-N-benzylideneaniline upon protonation of the imine nitrogen is investigated with density functional theory caculations. Previous experimental work with nuclear magnetic resonance has suggested that the protonated species is more nearly planar, but theoretical work has suggested that protonation has no appreciable impact upon the planarity. The current calculations support the experimental results.
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Details
- Title
- Conformation of protonated trans- N-benzylideneaniline: a revisit
- Creators
- Hanying Xu - Drexel UniversityKarl Sohlberg - Drexel UniversityYen Wei - Drexel University
- Publication Details
- Journal of molecular structure. Theochem, v 634(1), pp 311-314
- Publisher
- Elsevier
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:000185380800034
- Scopus ID
- 2-s2.0-0042377425
- Other Identifier
- 991019168535204721
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InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Web of Science research areas
- Chemistry, Physical