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On the Cl⋅⋅⋅N Halogen Bond: A Rotational Study of CF 3 Cl⋅⋅⋅NH 3
Author(s) -
Feng Gang,
Evangelisti Luca,
Gasparini Nicola,
Caminati Walther
Publication year - 2012
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201101582
Subject(s) - isotopologue , chemistry , halogen , rotational spectroscopy , bond dissociation energy , quadrupole , adduct , halogen bond , dissociation (chemistry) , rotational–vibrational spectroscopy , analytical chemistry (journal) , molecule , atomic physics , organic chemistry , physics , alkyl
The rotational spectra of six isotopologues (CF 3 35 Cl⋅⋅⋅ 14 NH 3 , CF 3 37 Cl⋅⋅⋅ 14 NH 3 , CF 3 35 Cl⋅⋅⋅ 15 NH 3 , CF 3 37 Cl⋅⋅⋅ 15 NH 3 , CF 3 35 Cl⋅⋅⋅ 14 ND 3 and CF 3 37 Cl⋅⋅⋅ 14 ND 3 ) of the CF 3 Cl⋅⋅⋅NH 3 adduct have been investigated and analyzed by pulsed jet Fourier transform microwave spectroscopy. Rotational, centrifugal distortion and quadrupole ( 35 Cl, 37 Cl, 14 N) coupling constants have been precisely obtained. The two subunits of the complex are held together via a Cl⋅⋅⋅N halogen bond interaction. Information on the internal dynamics and on the dissociation energy of the complex is provided.

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