The effect of temperature and solvation on the ultrafast dynamics of n-methylacetamide

N.T. Hunt, K. Wynne

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

The ultrafast dynamics of N-methylacetamide (NMA), a peptide-linkage model compound, are reported for the first time as a function of temperature and dilution. The rotational-diffusive timescale of NMA was observed to behave in a manner inconsistent with established hydrodynamic theory for simple liquids, exhibiting sharp decreases at elevated temperatures and low concentrations. These were associated with non-stoichiometric changes in far-infrared and terahertz Raman transition strengths. The data is consistent with a model in which neat NMA forms hydrogen bonded aggregates, featuring cooperative effects upon the polarizability and dipole moment that are disrupted by increased temperature or decreased NMA mole fraction.
LanguageEnglish
Pages155-159
Number of pages4
JournalChemical Physics Letters
Volume431
DOIs
Publication statusPublished - 2006

Fingerprint

Solvation
solvation
linkages
Temperature
peptides
temperature
dilution
low concentrations
Dipole moment
dipole moments
hydrodynamics
Dilution
moments
Hydrogen
Hydrodynamics
hydrogen
liquids
Infrared radiation
Peptides
N-methylacetamide

Keywords

  • N-methylacetamide
  • (NMA)
  • physics
  • solvation

Cite this

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title = "The effect of temperature and solvation on the ultrafast dynamics of n-methylacetamide",
abstract = "The ultrafast dynamics of N-methylacetamide (NMA), a peptide-linkage model compound, are reported for the first time as a function of temperature and dilution. The rotational-diffusive timescale of NMA was observed to behave in a manner inconsistent with established hydrodynamic theory for simple liquids, exhibiting sharp decreases at elevated temperatures and low concentrations. These were associated with non-stoichiometric changes in far-infrared and terahertz Raman transition strengths. The data is consistent with a model in which neat NMA forms hydrogen bonded aggregates, featuring cooperative effects upon the polarizability and dipole moment that are disrupted by increased temperature or decreased NMA mole fraction.",
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language = "English",
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The effect of temperature and solvation on the ultrafast dynamics of n-methylacetamide. / Hunt, N.T.; Wynne, K.

In: Chemical Physics Letters, Vol. 431, 2006, p. 155-159.

Research output: Contribution to journalArticle

TY - JOUR

T1 - The effect of temperature and solvation on the ultrafast dynamics of n-methylacetamide

AU - Hunt, N.T.

AU - Wynne, K.

PY - 2006

Y1 - 2006

N2 - The ultrafast dynamics of N-methylacetamide (NMA), a peptide-linkage model compound, are reported for the first time as a function of temperature and dilution. The rotational-diffusive timescale of NMA was observed to behave in a manner inconsistent with established hydrodynamic theory for simple liquids, exhibiting sharp decreases at elevated temperatures and low concentrations. These were associated with non-stoichiometric changes in far-infrared and terahertz Raman transition strengths. The data is consistent with a model in which neat NMA forms hydrogen bonded aggregates, featuring cooperative effects upon the polarizability and dipole moment that are disrupted by increased temperature or decreased NMA mole fraction.

AB - The ultrafast dynamics of N-methylacetamide (NMA), a peptide-linkage model compound, are reported for the first time as a function of temperature and dilution. The rotational-diffusive timescale of NMA was observed to behave in a manner inconsistent with established hydrodynamic theory for simple liquids, exhibiting sharp decreases at elevated temperatures and low concentrations. These were associated with non-stoichiometric changes in far-infrared and terahertz Raman transition strengths. The data is consistent with a model in which neat NMA forms hydrogen bonded aggregates, featuring cooperative effects upon the polarizability and dipole moment that are disrupted by increased temperature or decreased NMA mole fraction.

KW - N-methylacetamide

KW - (NMA)

KW - physics

KW - solvation

U2 - 10.1016/j.cplett.2006.09.084

DO - 10.1016/j.cplett.2006.09.084

M3 - Article

VL - 431

SP - 155

EP - 159

JO - Chemical Physics Letters

T2 - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

ER -