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Solvent effect on the blue shifted weakly H-bound F3 CH...FCD3 complex. / Rutkowski, K. S.; Melikova, S. M.; Rodziewicz, P.; Herrebout, W. A.; van der Veken, B. J.; Koll, A.

In: Journal of Molecular Structure, Vol. 880, No. 1-3, 27.05.2008, p. 64-68.

Research output: Contribution to journal › Article › peer-review

Harvard

Rutkowski, KS, Melikova, SM, Rodziewicz, P, Herrebout, WA, van der Veken, BJ & Koll, A 2008, 'Solvent effect on the blue shifted weakly H-bound F3 CH...FCD3 complex', Journal of Molecular Structure, vol. 880, no. 1-3, pp. 64-68. https://doi.org/10.1016/j.molstruc.2007.10.026

APA

Rutkowski, K. S., Melikova, S. M., Rodziewicz, P., Herrebout, W. A., van der Veken, B. J., & Koll, A. (2008). Solvent effect on the blue shifted weakly H-bound F3 CH...FCD3 complex. Journal of Molecular Structure, 880(1-3), 64-68. https://doi.org/10.1016/j.molstruc.2007.10.026

Vancouver

Rutkowski KS, Melikova SM, Rodziewicz P, Herrebout WA, van der Veken BJ, Koll A. Solvent effect on the blue shifted weakly H-bound F3 CH...FCD3 complex. Journal of Molecular Structure. 2008 May 27;880(1-3):64-68. https://doi.org/10.1016/j.molstruc.2007.10.026

Author

Rutkowski, K. S. ; Melikova, S. M. ; Rodziewicz, P. ; Herrebout, W. A. ; van der Veken, B. J. ; Koll, A. / Solvent effect on the blue shifted weakly H-bound F3 CH...FCD3 complex. In: Journal of Molecular Structure. 2008 ; Vol. 880, No. 1-3. pp. 64-68.

BibTeX

@article{35bc6e5488f84950ae0c33066fcd3075,
title = "Solvent effect on the blue shifted weakly H-bound F3 CH...FCD3 complex",
abstract = "Solvent effect on the νc frequency of CH stretching vibration of the blue shifted F3CH...FCD3 complex has been studied in liquefied N2, CO, Ar, Kr and Xe. In the case of Xe, the spectroscopic measurements have also been extended to the solid state. It was found that the νc position of the complex in the solutions studied lowers with respect to the value in the gas phase. In liquid Xe, characterized by the largest permittivity, this effect reaches its maximum value of ∼-14.5 cm-1. The νc frequency begins to grow again just below the freezing point of Xe, where a noticeable (∼15%) increase of the density of Xe occurs. The experimental results obtained for the liquid phase have been analyzed in the framework of the Onsager-like reaction field model and Polarizable Continuum Model (PCM) implemented into a standard Gaussian 98 Program.",
keywords = "Blue shifted H bond, FCH...FCD complex, IR spectra, Solvent effect",
author = "Rutkowski, {K. S.} and Melikova, {S. M.} and P. Rodziewicz and Herrebout, {W. A.} and {van der Veken}, {B. J.} and A. Koll",
year = "2008",
month = may,
day = "27",
doi = "10.1016/j.molstruc.2007.10.026",
language = "English",
volume = "880",
pages = "64--68",
journal = "Journal of Molecular Structure",
issn = "0022-2860",
publisher = "Elsevier",
number = "1-3",

}

RIS

TY - JOUR

T1 - Solvent effect on the blue shifted weakly H-bound F3 CH...FCD3 complex

AU - Rutkowski, K. S.

AU - Melikova, S. M.

AU - Rodziewicz, P.

AU - Herrebout, W. A.

AU - van der Veken, B. J.

AU - Koll, A.

PY - 2008/5/27

Y1 - 2008/5/27

N2 - Solvent effect on the νc frequency of CH stretching vibration of the blue shifted F3CH...FCD3 complex has been studied in liquefied N2, CO, Ar, Kr and Xe. In the case of Xe, the spectroscopic measurements have also been extended to the solid state. It was found that the νc position of the complex in the solutions studied lowers with respect to the value in the gas phase. In liquid Xe, characterized by the largest permittivity, this effect reaches its maximum value of ∼-14.5 cm-1. The νc frequency begins to grow again just below the freezing point of Xe, where a noticeable (∼15%) increase of the density of Xe occurs. The experimental results obtained for the liquid phase have been analyzed in the framework of the Onsager-like reaction field model and Polarizable Continuum Model (PCM) implemented into a standard Gaussian 98 Program.

AB - Solvent effect on the νc frequency of CH stretching vibration of the blue shifted F3CH...FCD3 complex has been studied in liquefied N2, CO, Ar, Kr and Xe. In the case of Xe, the spectroscopic measurements have also been extended to the solid state. It was found that the νc position of the complex in the solutions studied lowers with respect to the value in the gas phase. In liquid Xe, characterized by the largest permittivity, this effect reaches its maximum value of ∼-14.5 cm-1. The νc frequency begins to grow again just below the freezing point of Xe, where a noticeable (∼15%) increase of the density of Xe occurs. The experimental results obtained for the liquid phase have been analyzed in the framework of the Onsager-like reaction field model and Polarizable Continuum Model (PCM) implemented into a standard Gaussian 98 Program.

KW - Blue shifted H bond

KW - FCH...FCD complex

KW - IR spectra

KW - Solvent effect

UR - http://www.scopus.com/inward/record.url?scp=43249129146&partnerID=8YFLogxK

U2 - 10.1016/j.molstruc.2007.10.026

DO - 10.1016/j.molstruc.2007.10.026

M3 - Article

AN - SCOPUS:43249129146

VL - 880

SP - 64

EP - 68

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

SN - 0022-2860

IS - 1-3

ER -

ID: 36462086