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Gas‐Phase Conformational Map of the Amino Acid Isovaline
- Source :
- ChemPhysChem. 21:525-530
- Publication Year :
- 2020
- Publisher :
- Wiley, 2020.
-
Abstract
- Four conformers of the non-proteinogenic α-amino acid isovaline, vaporized by laser ablation, are characterized by Fourier-transform microwave techniques in a supersonic expansion. The comparison between the experimental rotational and 14 N nuclear quadrupole coupling constants and the ab initio calculated ones provides conclusive evidence for the identification of the conformers. The most stable species is stabilized by an N-H⋅⋅⋅O =C intramolecular hydrogen bond and a cis-COOH interaction, whereas the higher-energy conformers exhibit an N⋅⋅⋅H-O intramolecular hydrogen bond and trans-COOH, as in other aliphatic amino acids. The spectroscopic data herein reported can be used for the astrophysical purpose in a possible detection of isovaline in space.
- Subjects :
- chemistry.chemical_classification
Quantitative Biology::Biomolecules
Chemistry
Hydrogen bond
Molecular Conformation
Ab initio
Hydrogen Bonding
Valine
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
Atomic and Molecular Physics, and Optics
0104 chemical sciences
Amino acid
Crystallography
chemistry.chemical_compound
Isovaline
Intramolecular force
Quadrupole
Gases
Rotational spectroscopy
Physical and Theoretical Chemistry
0210 nano-technology
Conformational isomerism
Subjects
Details
- ISSN :
- 14397641 and 14394235
- Volume :
- 21
- Database :
- OpenAIRE
- Journal :
- ChemPhysChem
- Accession number :
- edsair.doi.dedup.....e0205ab0286a9c8793e425a012af13a3