Conformational analysis, structure, and normal coordinate analysis of vibrational spectra of hexafluoroacetone. A density functional theory study-Reference-Cited by-同舟云学术

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Conformational analysis, structure, and normal coordinate analysis of vibrational spectra of hexafluoroacetone. A density functional theory study

Published:2016-04 Issue: Volume:184 Page:65-71
ISSN:0022-1139
Container-title:Journal of Fluorine Chemistry
language:en
Short-container-title:Journal of Fluorine Chemistry

Author:

Tayyari Sayyed Faramarz,Gholamhoseinpour Mahboobeh,Emamian Saeedreza,Sammelson Robert Erik

Publisher

Elsevier BV

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Environmental Chemistry,Biochemistry

Reference43 articles.

1. Practical synthesis of fluorine-containing α- and β-amino acids;Kukhar;Future Med. Chem.,2009

2. Hexafluoroacetone hydrate as a structure modifier in proteins: characterization of a molten globule state of hen egg-white lysozyme;Bhattacharjya;Protein Sci.,1997

3. Alternate coordination modes of (CF3)2C(OH)2: synthesis and structure of five-coordinate Ni2+ and Cu2+ complexes derived from a chelating gem-diol;Bradford;J. Am. Chem. Soc.,1990

4. Conformational analysis and vibrational assignment of bis-gem-diol of hexafluoroacetylacetone;Tayyari;J. Mol. Struct.,2013

5. Fluoroalcohols as structure modifiers in peptides and proteins: hexafluoroacetone hydrate stabilizes a helical conformation of melittin at low pH;Bhattacharjya;J. Pept. Res.,1999

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2. Upgrading of the general AMBER force field 2 for fluorinated alcohol biosolvents: A validation for water solutions and melittin solvation;Journal of Peptide Science;2023-09-21

3. Infrared vibrational spectra and absolute intensities of fundamental bands of bis(trifluoromethyl)ketene: Ab initio interpretation using the second order operator Van Vleck perturbation theory;Journal of Quantitative Spectroscopy and Radiative Transfer;2021-12

4. Normal coordinate analysis of the enol form of pentane-2,4-dione and its 2H-isotopomers;Egyptian Journal of Chemistry;2020-11-05

5. Overtone spectroscopy of v(C=O) stretching vibration of hexafluoroacetone: Experimental and ab initio determination of peak positions, absolute intensities, and band shapes;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2020-09

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