Vibrational frequency shifts in IR absorption and emission spectra of liquid carbon monoxide. Monte-Carlo simulation

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Vibrational frequency shifts in IR absorption and emission spectra of liquid carbon monoxide. Monte-Carlo simulation. / Akopyan, S. Kh; Lukyanov, S. I.

в: Journal of Molecular Liquids, Том 46, № C, 01.01.1990, стр. 129-139.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

BibTeX

@article{f3ebea444f3c4e2e98d9838cba30c5ea,

title = "Vibrational frequency shifts in IR absorption and emission spectra of liquid carbon monoxide. Monte-Carlo simulation",

abstract = "Solvent induced frequency shifts in the IR absorption and emission spectra were simulated by Monte-Carlo procedure. The pair potential with repulsive, dispersive and electrostatic parts was used to study liquid carbon monoxide at T = 80K and ρ{variant} = 0.7982 g/cm3. It was shown that if single molecule of the system undergoes vibrational transition, the {"}red{"} frequency shift in emission spectrum is greater than the one in the absorption spectrum. The computer simulation results predict that if all molecules of the system are excited, the frequency shift of the emitting molecule turns {"}blue{"}. This means frequency shift in the IR emission spectrum depends on the pumping intensity. The increasing number of excited molecules in the system leads to the increase of the influence of repulsive intermolecular interactions on frequency shift. {\textcopyright} 1990.",

author = "Akopyan, {S. Kh} and Lukyanov, {S. I.}",

year = "1990",

month = jan,

day = "1",

doi = "10.1016/0167-7322(90)80049-P",

language = "English",

volume = "46",

pages = "129--139",

journal = "Journal of Molecular Liquids",

issn = "0167-7322",

publisher = "Elsevier",

number = "C",

}

RIS

TY - JOUR

T1 - Vibrational frequency shifts in IR absorption and emission spectra of liquid carbon monoxide. Monte-Carlo simulation

AU - Akopyan, S. Kh

AU - Lukyanov, S. I.

PY - 1990/1/1

Y1 - 1990/1/1

N2 - Solvent induced frequency shifts in the IR absorption and emission spectra were simulated by Monte-Carlo procedure. The pair potential with repulsive, dispersive and electrostatic parts was used to study liquid carbon monoxide at T = 80K and ρ{variant} = 0.7982 g/cm3. It was shown that if single molecule of the system undergoes vibrational transition, the "red" frequency shift in emission spectrum is greater than the one in the absorption spectrum. The computer simulation results predict that if all molecules of the system are excited, the frequency shift of the emitting molecule turns "blue". This means frequency shift in the IR emission spectrum depends on the pumping intensity. The increasing number of excited molecules in the system leads to the increase of the influence of repulsive intermolecular interactions on frequency shift. © 1990.

AB - Solvent induced frequency shifts in the IR absorption and emission spectra were simulated by Monte-Carlo procedure. The pair potential with repulsive, dispersive and electrostatic parts was used to study liquid carbon monoxide at T = 80K and ρ{variant} = 0.7982 g/cm3. It was shown that if single molecule of the system undergoes vibrational transition, the "red" frequency shift in emission spectrum is greater than the one in the absorption spectrum. The computer simulation results predict that if all molecules of the system are excited, the frequency shift of the emitting molecule turns "blue". This means frequency shift in the IR emission spectrum depends on the pumping intensity. The increasing number of excited molecules in the system leads to the increase of the influence of repulsive intermolecular interactions on frequency shift. © 1990.

UR - http://www.scopus.com/inward/record.url?scp=0041082090&partnerID=8YFLogxK

U2 - 10.1016/0167-7322(90)80049-P

DO - 10.1016/0167-7322(90)80049-P

M3 - Article

AN - SCOPUS:0041082090

VL - 46

SP - 129

EP - 139

JO - Journal of Molecular Liquids

JF - Journal of Molecular Liquids

SN - 0167-7322

IS - C

ER -

ID: 113684667