Details
| Original language | English |
|---|---|
| Pages (from-to) | 14092-14096 |
| Number of pages | 5 |
| Journal | Physical Chemistry Chemical Physics |
| Volume | 13 |
| Issue number | 31 |
| Early online date | 20 May 2011 |
| Publication status | Published - 21 Aug 2011 |
Abstract
We measured the molecular beam Fourier transform microwave spectra of six isotopologues of the 1:1 adduct of CH3CHClF with water. Water prefers to form an O-H⋯F rather than an O-H⋯Cl hydrogen bond. This is just the contrary of what was observed in the chlorofluoromethane-water adduct, where an O-H⋯Cl link was formed (W. Caminati, S. Melandri, A. Maris and P. Ottaviani, Angew. Chem., Int. Ed., 2006, 45, 2438). The water molecule is linked with an O-H⋯F bridge to the fluorine atom, with r(F⋯H w) = 2.14 Å, and with two C-H⋯O contacts to the alkyl hydrogens with r(C1-H1⋯Ow) = 2.75 Å and r(C2-H2⋯Ow) = 2.84 Å, respectively. Besides the rotational constants, the quadrupole coupling constants of the chlorine atom have been determined. In addition, information on the internal dynamics has been obtained.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- General Physics and Astronomy
- Chemistry(all)
- Physical and Theoretical Chemistry
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In: Physical Chemistry Chemical Physics, Vol. 13, No. 31, 21.08.2011, p. 14092-14096.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - On the weak O-H⋯halogen hydrogen bond
T2 - A rotational study of CH 3CHClF⋯H2O
AU - Feng, Gang
AU - Evangelisti, Luca
AU - Favero, Laura B.
AU - Grabow, Jens Uwe
AU - Xia, Zhining
AU - Caminati, Walther
PY - 2011/8/21
Y1 - 2011/8/21
N2 - We measured the molecular beam Fourier transform microwave spectra of six isotopologues of the 1:1 adduct of CH3CHClF with water. Water prefers to form an O-H⋯F rather than an O-H⋯Cl hydrogen bond. This is just the contrary of what was observed in the chlorofluoromethane-water adduct, where an O-H⋯Cl link was formed (W. Caminati, S. Melandri, A. Maris and P. Ottaviani, Angew. Chem., Int. Ed., 2006, 45, 2438). The water molecule is linked with an O-H⋯F bridge to the fluorine atom, with r(F⋯H w) = 2.14 Å, and with two C-H⋯O contacts to the alkyl hydrogens with r(C1-H1⋯Ow) = 2.75 Å and r(C2-H2⋯Ow) = 2.84 Å, respectively. Besides the rotational constants, the quadrupole coupling constants of the chlorine atom have been determined. In addition, information on the internal dynamics has been obtained.
AB - We measured the molecular beam Fourier transform microwave spectra of six isotopologues of the 1:1 adduct of CH3CHClF with water. Water prefers to form an O-H⋯F rather than an O-H⋯Cl hydrogen bond. This is just the contrary of what was observed in the chlorofluoromethane-water adduct, where an O-H⋯Cl link was formed (W. Caminati, S. Melandri, A. Maris and P. Ottaviani, Angew. Chem., Int. Ed., 2006, 45, 2438). The water molecule is linked with an O-H⋯F bridge to the fluorine atom, with r(F⋯H w) = 2.14 Å, and with two C-H⋯O contacts to the alkyl hydrogens with r(C1-H1⋯Ow) = 2.75 Å and r(C2-H2⋯Ow) = 2.84 Å, respectively. Besides the rotational constants, the quadrupole coupling constants of the chlorine atom have been determined. In addition, information on the internal dynamics has been obtained.
UR - http://www.scopus.com/inward/record.url?scp=79960954273&partnerID=8YFLogxK
U2 - 10.1039/c1cp20751b
DO - 10.1039/c1cp20751b
M3 - Article
AN - SCOPUS:79960954273
VL - 13
SP - 14092
EP - 14096
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
SN - 1463-9076
IS - 31
ER -