The journal of physical chemistry. A
Structural Insights into N,N-Diethyl-2-hydroxyacetamide Using Matrix Isolation Infrared Spectroscopy and DFT Computations: Conformational Control through Intramolecular Hydrogen Bonding and Hyperconjugation.
Visalakshi Mayilsamy, Vijay Sharma, Tulasi Barik, Nagarajan Ramanathan, Kalyanasundaram Sundararajan
Published: 202610.1021/acs.jpca.5c07081
Abstract
The conformational space of N,N-diethyl-2-hydroxyacetamide (DEHyA) was elucidated through an integrated experimental-computational approach combining matrix isolation infrared spectroscopy and density functional theory (DFT) calculations. Quantum che…
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