Halogen Bond and Free Internal Rotation: The Microwave Spectrum of CF3Cl-Dimethyl Ether

被引:32
作者
Evangelisti, Luca [1 ]
Feng, Gang [1 ]
Gou, Qian [1 ]
Grabow, Jens-Uwe [1 ]
Caminati, Walther [1 ]
机构
[1] Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy
关键词
HYDROGEN-BOND; GAS-PHASE; COMPLEXES; CHEMISTRY; CL;
D O I
10.1021/jp411372m
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The rotational spectra of two isotopologues of the molecular complex CF3Cl-dimethyl ether have been measured with pulsed jet Fourier transform microwave spectroscopy. The rotational spectrum encodes information on the global minimum configuration, stabilized by a Cl center dot center dot center dot O halogen bond, and on the almost free rotation of the -CF3 group.
引用
收藏
页码:579 / 582
页数:4
相关论文
共 26 条
[1]  
[Anonymous], CRYSTENGCOMM
[2]   FABRY-PEROT CAVITY PULSED FOURIER-TRANSFORM MICROWAVE SPECTROMETER WITH A PULSED NOZZLE PARTICLE SOURCE [J].
BALLE, TJ ;
FLYGARE, WH .
REVIEW OF SCIENTIFIC INSTRUMENTS, 1981, 52 (01) :33-45
[3]   CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].
BOYS, SF ;
BERNARDI, F .
MOLECULAR PHYSICS, 1970, 19 (04) :553-&
[4]   Relative strengths of the O-H•••Cl and O-H•••F hydrogen bonds [J].
Caminati, W ;
Melandri, S ;
Maris, A ;
Ottaviani, P .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2006, 45 (15) :2438-2442
[5]   Molecular beam Fourier transform microwave spectrum of the dimethylether-xenon complex:: tunnelling splitting and 131Xe quadrupole coupling constants [J].
Caminati, W ;
Millemaggi, A ;
Alonso, JL ;
Lesarri, A ;
López, JC ;
Mata, S .
CHEMICAL PHYSICS LETTERS, 2004, 392 (1-3) :1-6
[6]   The C-F•••H-O hydrogen bond in the gas phase.: Rotational spectrum and ab initio calculations of difluoromethane-water [J].
Caminati, W ;
Melandri, S ;
Rossi, I ;
Favero, PG .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1999, 121 (43) :10098-10101
[7]   Dynamical behavior and dipole-dipole interactions of tetrafluoromethane-water [J].
Caminati, Walther ;
Maris, Assimo ;
Dell'Erba, Adele ;
Favero, Paolo G. .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2006, 45 (40) :6711-6714
[8]   Definition of the halogen bond (IUPAC Recommendations 2013) [J].
Desiraju, Gautam R. ;
Ho, P. Shing ;
Kloo, Lars ;
Legon, Anthony C. ;
Marquardt, Roberto ;
Metrangolo, Pierangelo ;
Politzer, Peter ;
Resnati, Giuseppe ;
Rissanen, Kari .
PURE AND APPLIED CHEMISTRY, 2013, 85 (08) :1711-1713
[9]   The Halogen Bond and Internal Dynamics in the Molecular Complex of CF3Cl and H2O [J].
Evangelisti, Luca ;
Feng, Gang ;
Ecija, Patricia ;
Cocinero, Emilio J. ;
Castano, Fernando ;
Caminati, Walther .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2011, 50 (34) :7807-7810
[10]   On the Cl•••N Halogen Bond: A Rotational Study of CF3Cl•••NH3 [J].
Feng, Gang ;
Evangelisti, Luca ;
Gasparini, Nicola ;
Caminati, Walther .
CHEMISTRY-A EUROPEAN JOURNAL, 2012, 18 (05) :1364-1368