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The infrared study of fluoroform + methyl fluoride mixtures in argon and nitrogen matrices. Evidence of nonlinear blue-shifting complex formation. / Asfin, R.E.; Melikova, S.M.; Rutkowski, K.S.

In: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 203, 05.10.2018, p. 185-194.

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

Harvard

Asfin, RE, Melikova, SM & Rutkowski, KS 2018, 'The infrared study of fluoroform + methyl fluoride mixtures in argon and nitrogen matrices. Evidence of nonlinear blue-shifting complex formation', Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, vol. 203, pp. 185-194. https://doi.org/10.1016/j.saa.2018.05.105

APA

Asfin, R. E., Melikova, S. M., & Rutkowski, K. S. (2018). The infrared study of fluoroform + methyl fluoride mixtures in argon and nitrogen matrices. Evidence of nonlinear blue-shifting complex formation. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 203, 185-194. https://doi.org/10.1016/j.saa.2018.05.105

Vancouver

Asfin RE, Melikova SM, Rutkowski KS. The infrared study of fluoroform + methyl fluoride mixtures in argon and nitrogen matrices. Evidence of nonlinear blue-shifting complex formation. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 2018 Oct 5;203:185-194. https://doi.org/10.1016/j.saa.2018.05.105

Author

Asfin, R.E. ; Melikova, S.M. ; Rutkowski, K.S. / The infrared study of fluoroform + methyl fluoride mixtures in argon and nitrogen matrices. Evidence of nonlinear blue-shifting complex formation. In: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 2018 ; Vol. 203. pp. 185-194.

BibTeX

@article{44dfc366e75840da9928f38f5eb5b0b3,
title = "The infrared study of fluoroform + methyl fluoride mixtures in argon and nitrogen matrices. Evidence of nonlinear blue-shifting complex formation",
abstract = "The FTIR spectra of fluoroform + methyl fluoride mixtures trapped in argon and nitrogen matrices are studied at T~10–30 K. Spectroscopic changes observed in the region of the CH stretching mode of fluoroform are typical for weak blue shifting H – bonds of C–H⋯F type. The degeneracy lifting effect found on E – type bands of fluoroform interacted with methyl fluoride suggests the complex formation of a nonlinear form. The experimental results are confirmed by ab initio calculations of fluoroform + methyl fluoride based on the second order M{\o}ller-Plesset theory of perturbations utilizing advanced basis set. Nonlinear complexes are stabilized by the basic C–H⋯F interaction and additionally by van der Waals-type C–D⋯F–C contacts between deuterated methyl fluoride and fluoroform.",
keywords = "AIM, Ab initio calculations, Ar and N matrices, Blue-shifting H - bond, FTIR spectra, Fluoroform, Methyl fluoride, Self-associates, HYDROGEN-BONDED COMPLEXES, AMMONIA, ACETYLENE, Blue-shifting H, AB-INITIO, bond, ORIGIN, F3CH-CENTER-DOT-CENTER-DOT-CENTER-DOT-FCD3, IMPROPER, GAS-PHASE, Ar and N-2 matrices, VIBRATIONAL SPECTROSCOPY, LOW-TEMPERATURE MATRICES",
author = "R.E. Asfin and S.M. Melikova and K.S. Rutkowski",
year = "2018",
month = oct,
day = "5",
doi = "10.1016/j.saa.2018.05.105",
language = "English",
volume = "203",
pages = "185--194",
journal = "SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY",
issn = "1386-1425",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - The infrared study of fluoroform + methyl fluoride mixtures in argon and nitrogen matrices. Evidence of nonlinear blue-shifting complex formation

AU - Asfin, R.E.

AU - Melikova, S.M.

AU - Rutkowski, K.S.

PY - 2018/10/5

Y1 - 2018/10/5

N2 - The FTIR spectra of fluoroform + methyl fluoride mixtures trapped in argon and nitrogen matrices are studied at T~10–30 K. Spectroscopic changes observed in the region of the CH stretching mode of fluoroform are typical for weak blue shifting H – bonds of C–H⋯F type. The degeneracy lifting effect found on E – type bands of fluoroform interacted with methyl fluoride suggests the complex formation of a nonlinear form. The experimental results are confirmed by ab initio calculations of fluoroform + methyl fluoride based on the second order Møller-Plesset theory of perturbations utilizing advanced basis set. Nonlinear complexes are stabilized by the basic C–H⋯F interaction and additionally by van der Waals-type C–D⋯F–C contacts between deuterated methyl fluoride and fluoroform.

AB - The FTIR spectra of fluoroform + methyl fluoride mixtures trapped in argon and nitrogen matrices are studied at T~10–30 K. Spectroscopic changes observed in the region of the CH stretching mode of fluoroform are typical for weak blue shifting H – bonds of C–H⋯F type. The degeneracy lifting effect found on E – type bands of fluoroform interacted with methyl fluoride suggests the complex formation of a nonlinear form. The experimental results are confirmed by ab initio calculations of fluoroform + methyl fluoride based on the second order Møller-Plesset theory of perturbations utilizing advanced basis set. Nonlinear complexes are stabilized by the basic C–H⋯F interaction and additionally by van der Waals-type C–D⋯F–C contacts between deuterated methyl fluoride and fluoroform.

KW - AIM

KW - Ab initio calculations

KW - Ar and N matrices

KW - Blue-shifting H - bond

KW - FTIR spectra

KW - Fluoroform

KW - Methyl fluoride

KW - Self-associates

KW - HYDROGEN-BONDED COMPLEXES

KW - AMMONIA

KW - ACETYLENE

KW - Blue-shifting H

KW - AB-INITIO

KW - bond

KW - ORIGIN

KW - F3CH-CENTER-DOT-CENTER-DOT-CENTER-DOT-FCD3

KW - IMPROPER

KW - GAS-PHASE

KW - Ar and N-2 matrices

KW - VIBRATIONAL SPECTROSCOPY

KW - LOW-TEMPERATURE MATRICES

UR - http://www.scopus.com/inward/record.url?scp=85048497394&partnerID=8YFLogxK

U2 - 10.1016/j.saa.2018.05.105

DO - 10.1016/j.saa.2018.05.105

M3 - Article

VL - 203

SP - 185

EP - 194

JO - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

JF - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

SN - 1386-1425

ER -

ID: 28262610