Standard

The gas phase FTIR studies of chloroform plus B and halothane plus B (B = TMA, FCD3) mixtures. / Rutkowski, K. S.; Melikova, S. M.; Asfin, R. E.; Czarnik-Matusewicz, B.; Rospenk, M.

The gas phase FTIR studies of chloroform plus B and halothane plus B (B = TMA, FCD3) mixtures. 2014.

Результаты исследований: Публикации в книгах, отчётах, сборниках, трудах конференций › статья в сборнике материалов конференции › научная

Harvard

Rutkowski, KS, Melikova, SM, Asfin, RE, Czarnik-Matusewicz, B & Rospenk, M 2014, The gas phase FTIR studies of chloroform plus B and halothane plus B (B = TMA, FCD3) mixtures. в The gas phase FTIR studies of chloroform plus B and halothane plus B (B = TMA, FCD3) mixtures. https://doi.org/10.1016/j.molstruc.2013.12.014

APA

Rutkowski, K. S., Melikova, S. M., Asfin, R. E., Czarnik-Matusewicz, B., & Rospenk, M. (2014). The gas phase FTIR studies of chloroform plus B and halothane plus B (B = TMA, FCD3) mixtures. в The gas phase FTIR studies of chloroform plus B and halothane plus B (B = TMA, FCD3) mixtures https://doi.org/10.1016/j.molstruc.2013.12.014

Vancouver

Rutkowski KS, Melikova SM, Asfin RE, Czarnik-Matusewicz B, Rospenk M. The gas phase FTIR studies of chloroform plus B and halothane plus B (B = TMA, FCD3) mixtures. в The gas phase FTIR studies of chloroform plus B and halothane plus B (B = TMA, FCD3) mixtures. 2014 https://doi.org/10.1016/j.molstruc.2013.12.014

Author

Rutkowski, K. S. ; Melikova, S. M. ; Asfin, R. E. ; Czarnik-Matusewicz, B. ; Rospenk, M. / The gas phase FTIR studies of chloroform plus B and halothane plus B (B = TMA, FCD3) mixtures. The gas phase FTIR studies of chloroform plus B and halothane plus B (B = TMA, FCD3) mixtures. 2014.

BibTeX

@inproceedings{1d6b3090498e4d0396c7295e16808f76,
title = "The gas phase FTIR studies of chloroform plus B and halothane plus B (B = TMA, FCD3) mixtures",
abstract = "An infrared and ab initio (MP216-311++G(2d,2p)) study of complexes of chloroform (CI3CH(D)) and halothane (CHC1BrCF3) with weak methyl fluoride (FCD3) and strong trimethylamine (N(CH(D)(3))(3) TMA) proton acceptors in the gas phase near the room temperature is presented. The so called blue shifting hydrogen bond has been identified in the former case and the formation of conventional H-bond with the red frequency shift of CH stretching vibration of the proton donors was observed in the latter case. An attempt of temperature spectroscopic measurements has been made for the systems studied to estimate the formation energy. In the case of Cl3CD...N(CH3)(3) complex this value equals 23(2) kJ/ mol. The results obtained in ab inito calculations generally agree with those obtained in IR spectroscopic measurements, however they overestimate the frequency shift caused by the complex formation, especially in the case of the red-shifting H-bonds. Possible origin of such overestimation is discussed shortly. (C) 2013 Else",
author = "Rutkowski, {K. S.} and Melikova, {S. M.} and Asfin, {R. E.} and B. Czarnik-Matusewicz and M. Rospenk",
year = "2014",
doi = "10.1016/j.molstruc.2013.12.014",
language = "English",
booktitle = "The gas phase FTIR studies of chloroform plus B and halothane plus B (B = TMA, FCD3) mixtures",

}

RIS

TY - GEN

T1 - The gas phase FTIR studies of chloroform plus B and halothane plus B (B = TMA, FCD3) mixtures

AU - Rutkowski, K. S.

AU - Melikova, S. M.

AU - Asfin, R. E.

AU - Czarnik-Matusewicz, B.

AU - Rospenk, M.

PY - 2014

Y1 - 2014

N2 - An infrared and ab initio (MP216-311++G(2d,2p)) study of complexes of chloroform (CI3CH(D)) and halothane (CHC1BrCF3) with weak methyl fluoride (FCD3) and strong trimethylamine (N(CH(D)(3))(3) TMA) proton acceptors in the gas phase near the room temperature is presented. The so called blue shifting hydrogen bond has been identified in the former case and the formation of conventional H-bond with the red frequency shift of CH stretching vibration of the proton donors was observed in the latter case. An attempt of temperature spectroscopic measurements has been made for the systems studied to estimate the formation energy. In the case of Cl3CD...N(CH3)(3) complex this value equals 23(2) kJ/ mol. The results obtained in ab inito calculations generally agree with those obtained in IR spectroscopic measurements, however they overestimate the frequency shift caused by the complex formation, especially in the case of the red-shifting H-bonds. Possible origin of such overestimation is discussed shortly. (C) 2013 Else

AB - An infrared and ab initio (MP216-311++G(2d,2p)) study of complexes of chloroform (CI3CH(D)) and halothane (CHC1BrCF3) with weak methyl fluoride (FCD3) and strong trimethylamine (N(CH(D)(3))(3) TMA) proton acceptors in the gas phase near the room temperature is presented. The so called blue shifting hydrogen bond has been identified in the former case and the formation of conventional H-bond with the red frequency shift of CH stretching vibration of the proton donors was observed in the latter case. An attempt of temperature spectroscopic measurements has been made for the systems studied to estimate the formation energy. In the case of Cl3CD...N(CH3)(3) complex this value equals 23(2) kJ/ mol. The results obtained in ab inito calculations generally agree with those obtained in IR spectroscopic measurements, however they overestimate the frequency shift caused by the complex formation, especially in the case of the red-shifting H-bonds. Possible origin of such overestimation is discussed shortly. (C) 2013 Else

U2 - 10.1016/j.molstruc.2013.12.014

DO - 10.1016/j.molstruc.2013.12.014

M3 - Conference contribution

BT - The gas phase FTIR studies of chloroform plus B and halothane plus B (B = TMA, FCD3) mixtures

ER -

ID: 7066873