Standard

Infrared spectra and relative stability of the F3CH/NH 3 H-bonded complex in liquefied Xe. / Rutkowski, K. S.; Herrebout, W. A.; Melikova, S. M.; Rodziewicz, P.; Van Der Veken, B. J.; Koll, A.

In: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 61, No. 7, 01.05.2005, p. 1595-1602.

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

Harvard

Rutkowski, KS, Herrebout, WA, Melikova, SM, Rodziewicz, P, Van Der Veken, BJ & Koll, A 2005, 'Infrared spectra and relative stability of the F3CH/NH 3 H-bonded complex in liquefied Xe', Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, vol. 61, no. 7, pp. 1595-1602. https://doi.org/10.1016/j.saa.2004.11.063

APA

Rutkowski, K. S., Herrebout, W. A., Melikova, S. M., Rodziewicz, P., Van Der Veken, B. J., & Koll, A. (2005). Infrared spectra and relative stability of the F3CH/NH 3 H-bonded complex in liquefied Xe. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 61(7), 1595-1602. https://doi.org/10.1016/j.saa.2004.11.063

Vancouver

Rutkowski KS, Herrebout WA, Melikova SM, Rodziewicz P, Van Der Veken BJ, Koll A. Infrared spectra and relative stability of the F3CH/NH 3 H-bonded complex in liquefied Xe. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 2005 May 1;61(7):1595-1602. https://doi.org/10.1016/j.saa.2004.11.063

Author

Rutkowski, K. S. ; Herrebout, W. A. ; Melikova, S. M. ; Rodziewicz, P. ; Van Der Veken, B. J. ; Koll, A. / Infrared spectra and relative stability of the F3CH/NH 3 H-bonded complex in liquefied Xe. In: Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 2005 ; Vol. 61, No. 7. pp. 1595-1602.

BibTeX

@article{ad8f5ea7efac43c182948334f4fdf2c4,
title = "Infrared spectra and relative stability of the F3CH/NH 3 H-bonded complex in liquefied Xe",
abstract = "FTIR spectra of mixtures of fluoroform (F3CH) and ammonia (NH3), have been studied in liquid xenon between 5400 and 500 cm -1. Spectroscopic evidence for the formation of a hydrogen bonded complex has been found and the complexation enthalpy ΔLXeH° in the temperature interval between 173 and 215 K, was determined to be 14.4 (7) kJ mol-1. The parallel fundamentals ν1 and ν2 of ammonia reveal a strong narrowing effect upon complex formation, whereas the perpendicular fundamentals ν3 and ν4 show a modest decrease of their width. CP corrected ab initio calculations at the MP2(FULL)/6-311++G(3df,2pd) level predict a linear geometry for the complex, characterized by a small red shift of the CH stretch frequency of fluoroform. The ab initio interaction energy was found to be compatible with the isolated molecule complexation energy extrapolated from the experimental ΔLXeH°.",
keywords = "Ammonia, CH⋯B interactions, Cryosolutions, Fluoroform, Hydrogen bond, Liquid xenon, Relative stability",
author = "Rutkowski, {K. S.} and Herrebout, {W. A.} and Melikova, {S. M.} and P. Rodziewicz and {Van Der Veken}, {B. J.} and A. Koll",
year = "2005",
month = may,
day = "1",
doi = "10.1016/j.saa.2004.11.063",
language = "English",
volume = "61",
pages = "1595--1602",
journal = "SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY",
issn = "1386-1425",
publisher = "Elsevier",
number = "7",

}

RIS

TY - JOUR

T1 - Infrared spectra and relative stability of the F3CH/NH 3 H-bonded complex in liquefied Xe

AU - Rutkowski, K. S.

AU - Herrebout, W. A.

AU - Melikova, S. M.

AU - Rodziewicz, P.

AU - Van Der Veken, B. J.

AU - Koll, A.

PY - 2005/5/1

Y1 - 2005/5/1

N2 - FTIR spectra of mixtures of fluoroform (F3CH) and ammonia (NH3), have been studied in liquid xenon between 5400 and 500 cm -1. Spectroscopic evidence for the formation of a hydrogen bonded complex has been found and the complexation enthalpy ΔLXeH° in the temperature interval between 173 and 215 K, was determined to be 14.4 (7) kJ mol-1. The parallel fundamentals ν1 and ν2 of ammonia reveal a strong narrowing effect upon complex formation, whereas the perpendicular fundamentals ν3 and ν4 show a modest decrease of their width. CP corrected ab initio calculations at the MP2(FULL)/6-311++G(3df,2pd) level predict a linear geometry for the complex, characterized by a small red shift of the CH stretch frequency of fluoroform. The ab initio interaction energy was found to be compatible with the isolated molecule complexation energy extrapolated from the experimental ΔLXeH°.

AB - FTIR spectra of mixtures of fluoroform (F3CH) and ammonia (NH3), have been studied in liquid xenon between 5400 and 500 cm -1. Spectroscopic evidence for the formation of a hydrogen bonded complex has been found and the complexation enthalpy ΔLXeH° in the temperature interval between 173 and 215 K, was determined to be 14.4 (7) kJ mol-1. The parallel fundamentals ν1 and ν2 of ammonia reveal a strong narrowing effect upon complex formation, whereas the perpendicular fundamentals ν3 and ν4 show a modest decrease of their width. CP corrected ab initio calculations at the MP2(FULL)/6-311++G(3df,2pd) level predict a linear geometry for the complex, characterized by a small red shift of the CH stretch frequency of fluoroform. The ab initio interaction energy was found to be compatible with the isolated molecule complexation energy extrapolated from the experimental ΔLXeH°.

KW - Ammonia

KW - CH⋯B interactions

KW - Cryosolutions

KW - Fluoroform

KW - Hydrogen bond

KW - Liquid xenon

KW - Relative stability

UR - http://www.scopus.com/inward/record.url?scp=16244367408&partnerID=8YFLogxK

U2 - 10.1016/j.saa.2004.11.063

DO - 10.1016/j.saa.2004.11.063

M3 - Article

C2 - 15820893

AN - SCOPUS:16244367408

VL - 61

SP - 1595

EP - 1602

JO - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

JF - SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

SN - 1386-1425

IS - 7

ER -

ID: 36462630