A Monte Carlo-Quantum Mechanics Study of the Solvent-Induced Spectral Shift and the Specific Role of Hydrogen Bonds in the Conformational Equilibrium of Furfural in Water-Reference-Cited by-同舟云学术

A Monte Carlo-Quantum Mechanics Study of the Solvent-Induced Spectral Shift and the Specific Role of Hydrogen Bonds in the Conformational Equilibrium of Furfural in Water

Published:2002-11-01 Issue:47 Volume:106 Page:12317-12322
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Rivelino Roberto¹,Coutinho Kaline²,Canuto Sylvio¹

Affiliation:

1. Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo, SP, Brazil

2. CIIB, Universidade de Mogi das Cruzes, CP 411, 08701-970 Mogi das Cruzes, SP, Brazil

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp026318q

Reference48 articles.

1. Torsional frequencies in the far infrared—V. Torsions around the CC signle bond in some benzaldehydes, furfural, and related compounds

2. Rotational isomerism—XIII

3. Asymmetric torsional potential function and conformational analysis of furfural by far infrared and Raman spectroscopy

4. Molecular structure and conformational equilibrium of gaseous thiophene-2-aldehyde as studied by electron diffraction and microwave, infrared, raman and matrix isolation spectroscopy

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