Band Shape of the OH Stretching Vibration in Aliphatic Alcohols. Evidence for the Occurrence of an Intramolecular Interaction

1964 ◽  
Vol 41 (1) ◽  
pp. 40-46 ◽  
Author(s):  
Eleanor L. Saier ◽  
Lauren R. Cousins ◽  
Michael R. Basila
Keyword(s):  
Intramolecular Interaction ◽  
Aliphatic Alcohols ◽  
Band Shape ◽  
Stretching Vibration

scholarly journals Infrared Band Shape of the C–I Stretching Vibration of Methyl Iodide in Solutions

1975 ◽  
Vol 48 (12) ◽  
pp. 3464-3468 ◽  
Author(s):  
Kenji Fujiwara ◽  
Kohji Fukushi ◽  
Shun-ichi Ikawa ◽  
Masao Kimura
Keyword(s):  
Methyl Iodide ◽  
Infrared Band ◽  
Band Shape ◽  
Stretching Vibration

ChemInform Abstract: INFRARED BAND SHAPE OF THE CARBON-IODINE STRETCHING VIBRATION OF METHYL IODIDE IN SOLUTIONS

1976 ◽  
Vol 7 (11) ◽  
Author(s):  
KENJI FUJIWARA ◽  
KOHJI FUKUSHI ◽  
SHUN-ICHI IKAWA ◽  
MASAO KIMURA
Keyword(s):  
Methyl Iodide ◽  
Infrared Band ◽  
Band Shape ◽  
Stretching Vibration

Infrared Absorption Band Shape Studies: Fundamental OH Stretching Vibration of Benzyl Alcohol Conformers in Dilute Carbon Tetrachloride Solution

1973 ◽  
Vol 51 (19) ◽  
pp. 3250-3262 ◽  
Author(s):  
P. J. Krueger ◽  
B. F. Hawkins
Keyword(s):  
Molecular Conformation ◽  
Rotational Relaxation ◽  
Alcohol Molecule ◽  
Band Model ◽  
Band Shape ◽  
Benzyl Alcohols ◽  
Electronic Nature ◽  
Shape Indices ◽  
Stretching Vibration ◽  
Donor Acceptor

The fundamental OH stretching doublet in the i.r. spectra of a series of a monomeric p-X-benzyl alcohols (X = OCH3, CH3, H, Cl, NO2) observed in dilute CCl4 solution over the temperature range −5 to+40 °C is resolved into two components corresponding to different molecular conformers, using digital computing techniques and a Cauchy–Gauss sum band model. The temperature and substituent dependence of frequencies, band shape indices, and band widths are discussed in terms of intramolecular (electronic displacements and [Formula: see text] hydrogen bonds) and intermolecular ([Formula: see text] and π–σ electron donor–acceptor) interactions. The OH band shapes, which range from 60–98% Cauchy character, reflect variations in the intermolecular interactions which impede molecular re-orientation, and can be correlated with the electronic nature of X and the molecular conformation. The formation of an intramolecular [Formula: see text] hydrogen bond results in significantly slower rotational relaxation of the alcohol molecule. The enthalpy differences between the two conformers are found to be 1.52 ± 0.13, 1.57 ± 0.15, 1.53 ± 0.08, 1.06 ± 0.13, and 1.15 ± 0.11 kcal/mol for the compounds in the order stated above.

Sign in / Sign up

Export Citation Format

Share Document