A theoretical model that predicts the effect of pressure and hydrogen-bonding on the low-frequency Raman spectrum of liquid amides

L. Smeller, K. Goossens, K. Heremans

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

A theoretical model is presented that accounts for the pressure dependence of the low-frequency modes of liquid amides. The recently discovered low-frequency Raman bands originate from the hindered rotational (librational) motion of the molecules. The present theory explains the higher librational frequency found for amides with hydrogen bonds compared to the one found in amides which do not form hydrogen bonds. The pressure dependences of the two types of amide are also systematically different. These differences can be quantitatively predicted by the present theory.

Original languageEnglish
Pages (from-to)155-163
Number of pages9
JournalJournal of Molecular Structure
Volume298
Issue numberC
DOIs
Publication statusPublished - Oct 4 1993

Fingerprint

Hydrogen Bonding
Amides
amides
Raman scattering
Hydrogen bonds
Theoretical Models
Raman spectra
low frequencies
Pressure
Liquids
hydrogen
liquids
pressure dependence
Hydrogen
librational motion
hydrogen bonds
Molecules
molecules

ASJC Scopus subject areas

  • Structural Biology
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Materials Science (miscellaneous)
  • Atomic and Molecular Physics, and Optics

Cite this

A theoretical model that predicts the effect of pressure and hydrogen-bonding on the low-frequency Raman spectrum of liquid amides. / Smeller, L.; Goossens, K.; Heremans, K.

In: Journal of Molecular Structure, Vol. 298, No. C, 04.10.1993, p. 155-163.

Research output: Contribution to journalArticle

@article{f6dcb224c04843df90b7ec35c337dcaa,
title = "A theoretical model that predicts the effect of pressure and hydrogen-bonding on the low-frequency Raman spectrum of liquid amides",
abstract = "A theoretical model is presented that accounts for the pressure dependence of the low-frequency modes of liquid amides. The recently discovered low-frequency Raman bands originate from the hindered rotational (librational) motion of the molecules. The present theory explains the higher librational frequency found for amides with hydrogen bonds compared to the one found in amides which do not form hydrogen bonds. The pressure dependences of the two types of amide are also systematically different. These differences can be quantitatively predicted by the present theory.",
author = "L. Smeller and K. Goossens and K. Heremans",
year = "1993",
month = "10",
day = "4",
doi = "10.1016/0022-2860(93)80217-J",
language = "English",
volume = "298",
pages = "155--163",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier",
number = "C",

}

TY - JOUR

T1 - A theoretical model that predicts the effect of pressure and hydrogen-bonding on the low-frequency Raman spectrum of liquid amides

AU - Smeller, L.

AU - Goossens, K.

AU - Heremans, K.

PY - 1993/10/4

Y1 - 1993/10/4

N2 - A theoretical model is presented that accounts for the pressure dependence of the low-frequency modes of liquid amides. The recently discovered low-frequency Raman bands originate from the hindered rotational (librational) motion of the molecules. The present theory explains the higher librational frequency found for amides with hydrogen bonds compared to the one found in amides which do not form hydrogen bonds. The pressure dependences of the two types of amide are also systematically different. These differences can be quantitatively predicted by the present theory.

AB - A theoretical model is presented that accounts for the pressure dependence of the low-frequency modes of liquid amides. The recently discovered low-frequency Raman bands originate from the hindered rotational (librational) motion of the molecules. The present theory explains the higher librational frequency found for amides with hydrogen bonds compared to the one found in amides which do not form hydrogen bonds. The pressure dependences of the two types of amide are also systematically different. These differences can be quantitatively predicted by the present theory.

UR - http://www.scopus.com/inward/record.url?scp=0004490509&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0004490509&partnerID=8YFLogxK

U2 - 10.1016/0022-2860(93)80217-J

DO - 10.1016/0022-2860(93)80217-J

M3 - Article

AN - SCOPUS:0004490509

VL - 298

SP - 155

EP - 163

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

IS - C

ER -