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Interplay of Intra- and Intermolecular Interactions in Solid Iodine at Low Temperatures : Experimental and Theoretic Spectroscopy Study. / Yushina, I. D.; Kolesov, B. A.

In: Journal of Physical Chemistry A, Vol. 123, No. 21, 30.05.2019, p. 4575-4580.

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

Harvard

Yushina, ID & Kolesov, BA 2019, 'Interplay of Intra- and Intermolecular Interactions in Solid Iodine at Low Temperatures: Experimental and Theoretic Spectroscopy Study', Journal of Physical Chemistry A, vol. 123, no. 21, pp. 4575-4580. https://doi.org/10.1021/acs.jpca.9b01167

APA

Yushina, I. D., & Kolesov, B. A. (2019). Interplay of Intra- and Intermolecular Interactions in Solid Iodine at Low Temperatures: Experimental and Theoretic Spectroscopy Study. Journal of Physical Chemistry A, 123(21), 4575-4580. https://doi.org/10.1021/acs.jpca.9b01167

Vancouver

Yushina ID, Kolesov BA. Interplay of Intra- and Intermolecular Interactions in Solid Iodine at Low Temperatures: Experimental and Theoretic Spectroscopy Study. Journal of Physical Chemistry A. 2019 May 30;123(21):4575-4580. doi: 10.1021/acs.jpca.9b01167

Author

Yushina, I. D. ; Kolesov, B. A. / Interplay of Intra- and Intermolecular Interactions in Solid Iodine at Low Temperatures : Experimental and Theoretic Spectroscopy Study. In: Journal of Physical Chemistry A. 2019 ; Vol. 123, No. 21. pp. 4575-4580.

BibTeX

@article{56e335bea30b4b06a64a8e452c82b159,
title = "Interplay of Intra- and Intermolecular Interactions in Solid Iodine at Low Temperatures: Experimental and Theoretic Spectroscopy Study",
abstract = "This work is devoted to the discussion of structural changes in crystalline iodine under low temperature studied from experimental and theoretic points of view. Experimental Raman spectra in the temperature range 5-300 K demonstrated unusual behavior of stretching vibration at ∼180 cm-1 with temperature. The data allowed obtaining of ω(T) functions for both external translational and internal stretching modes of I2. It was found that ω(T) trends significantly differ in comparison to typical van der Waals crystal α-S8. The observed anomalies are explained from a theoretic point of view because of the strengthening of intralayer halogen bonding between I2 molecules.",
keywords = "HALOGEN BOND, ELECTRON LOCALIZATION, TRANSITION",
author = "Yushina, {I. D.} and Kolesov, {B. A.}",
year = "2019",
month = may,
day = "30",
doi = "10.1021/acs.jpca.9b01167",
language = "English",
volume = "123",
pages = "4575--4580",
journal = "Journal of Physical Chemistry A",
issn = "1089-5639",
publisher = "American Chemical Society",
number = "21",

}

RIS

TY - JOUR

T1 - Interplay of Intra- and Intermolecular Interactions in Solid Iodine at Low Temperatures

T2 - Experimental and Theoretic Spectroscopy Study

AU - Yushina, I. D.

AU - Kolesov, B. A.

PY - 2019/5/30

Y1 - 2019/5/30

N2 - This work is devoted to the discussion of structural changes in crystalline iodine under low temperature studied from experimental and theoretic points of view. Experimental Raman spectra in the temperature range 5-300 K demonstrated unusual behavior of stretching vibration at ∼180 cm-1 with temperature. The data allowed obtaining of ω(T) functions for both external translational and internal stretching modes of I2. It was found that ω(T) trends significantly differ in comparison to typical van der Waals crystal α-S8. The observed anomalies are explained from a theoretic point of view because of the strengthening of intralayer halogen bonding between I2 molecules.

AB - This work is devoted to the discussion of structural changes in crystalline iodine under low temperature studied from experimental and theoretic points of view. Experimental Raman spectra in the temperature range 5-300 K demonstrated unusual behavior of stretching vibration at ∼180 cm-1 with temperature. The data allowed obtaining of ω(T) functions for both external translational and internal stretching modes of I2. It was found that ω(T) trends significantly differ in comparison to typical van der Waals crystal α-S8. The observed anomalies are explained from a theoretic point of view because of the strengthening of intralayer halogen bonding between I2 molecules.

KW - HALOGEN BOND

KW - ELECTRON LOCALIZATION

KW - TRANSITION

UR - http://www.scopus.com/inward/record.url?scp=85066751984&partnerID=8YFLogxK

U2 - 10.1021/acs.jpca.9b01167

DO - 10.1021/acs.jpca.9b01167

M3 - Article

C2 - 31063373

AN - SCOPUS:85066751984

VL - 123

SP - 4575

EP - 4580

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

SN - 1089-5639

IS - 21

ER -

ID: 20537448