Conformational topography of tris(2-methylbutyl) phosphate and the influence of methyl branching at the non-hyperconjugative carbon on the conformational landscape: insights from matrix isolation infrared spectroscopy and DFT computations.
Journal
Physical chemistry chemical physics : PCCP
ISSN: 1463-9084
Titre abrégé: Phys Chem Chem Phys
Pays: England
ID NLM: 100888160
Informations de publication
Date de publication:
14 Nov 2020
14 Nov 2020
Historique:
pubmed:
22
10
2020
medline:
22
10
2020
entrez:
21
10
2020
Statut:
ppublish
Résumé
The branching of a methyl group in a linear chain has a profound influence on the conformational morphology as it wields a strong control in reducing a large number of conformations. To unravel the effect of branching on the second non-hyperconjugative carbon atom on the conformational landscape, the conformations of tris(2-methylbutyl)phosphate (T2MBP) were studied using Density Functional Theory (DFT) computations and matrix isolation infrared spectroscopy. Experimentally, T2MBP along with N
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM