dc.identifier.uri |
http://dx.doi.org/10.15488/2192 |
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dc.identifier.uri |
http://www.repo.uni-hannover.de/handle/123456789/2217 |
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dc.contributor.author |
Feng, Gang
|
|
dc.contributor.author |
Evangelisti, Luca
|
|
dc.contributor.author |
Favero, Laura B.
|
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dc.contributor.author |
Grabow, Jens-Uwe
|
|
dc.contributor.author |
Xia, Zhining
|
|
dc.contributor.author |
Caminati, Walther
|
|
dc.date.accessioned |
2017-11-01T09:44:42Z |
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dc.date.available |
2017-11-01T09:44:42Z |
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dc.date.issued |
2011 |
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dc.identifier.citation |
Feng, G.; Evangelisti, L.; Favero, L.B.; Grabow, J.-U.; Xia, Z. et al.: On the weak O-H⋯halogen hydrogen bond: A rotational study of CH 3CHClF⋯H2O. In: Physical Chemistry Chemical Physics 13 (2011), Nr. 31, S. 14092-14096. DOI: https://doi.org/10.1039/c1cp20751b |
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dc.description.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. © the Owner Societies 2011. |
eng |
dc.language.iso |
eng |
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dc.publisher |
Cambridge : Royal Society of Chemistry |
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dc.relation.ispartofseries |
Physical Chemistry Chemical Physics 13 (2011), Nr. 31 |
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dc.rights |
Es gilt deutsches Urheberrecht. Das Dokument darf zum eigenen Gebrauch kostenfrei genutzt, aber nicht im Internet bereitgestellt oder an Außenstehende weitergegeben werden. Dieser Beitrag ist aufgrund einer (DFG-geförderten) Allianz- bzw. Nationallizenz frei zugänglich. |
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dc.subject |
microwave spectra |
eng |
dc.subject |
water |
eng |
dc.subject |
alkyl |
eng |
dc.subject |
IR spectroscopy |
eng |
dc.subject |
Fourier |
eng |
dc.subject.ddc |
540 | Chemie
|
ger |
dc.title |
On the weak O-H⋯halogen hydrogen bond: A rotational study of CH 3CHClF⋯H2O |
|
dc.type |
Article |
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dc.type |
Text |
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dc.relation.issn |
1463-9076 |
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dc.relation.doi |
https://doi.org/10.1039/c1cp20751b |
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dc.bibliographicCitation.issue |
31 |
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dc.bibliographicCitation.volume |
13 |
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dc.bibliographicCitation.firstPage |
14092 |
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dc.bibliographicCitation.lastPage |
14096 |
|
dc.description.version |
publishedVersion |
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tib.accessRights |
frei zug�nglich |
|