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Abstract book - Prof. Per Jensen, Ph.D. - Bergische Universität ...

Abstract book - Prof. Per Jensen, Ph.D. - Bergische Universität ...

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178 Poster session, J15Halogen bond and hindered motions in freons by microwavespectroscopyLuca Evangelisti 1 , Gang Feng 1 , Qian Gou 1 , Jens-Uwe Grabow 2 , Walther Caminati 11 Dipartimento di Chimica “G. Ciamician”, Università di Bologna, Italy,luca.evangelisti6@unibo.it; 2 Lehrgebiet <strong>Ph</strong>ysikalische Chemie A, Institut fϋr<strong>Ph</strong>ysikalische Chemie und Elektrochemie, Universtät Hannover, Germany.Evangelisti L.Feng G.Gou Q.Grabow J.-U.Caminati W.The term “halogen bonding” is used in analogy with the better-known hydrogenbonding, with which halogen bonding shares numerous properties. 1 It is the noncovalentinteraction where halogen atoms function as electrophilic species and, actually, it has animpact on all research fields where the control of intermolecular recognition and selfassemblyprocesses plays a key role. 2 In CFCs, both, hydrogen and halogen bond arepossible. 3 We measured several complexes of CFCs using a Balle-Flygare FTMWspectrometer. Several kinds of 1:1 adducts (with Cl···O, F····O, F···N, F···C bonds) arereported (see for example, Figure 1). The gas sample containing a small percentage ofeach precursor in a balance of helium atmosphere. In addition, information on theinternal dynamics has been obtained. Ab initio calculation (MP2 level of electroncorrelation and 6-311++G** basis set) have been carried out in order to obtaininformation about the structure and relative stability.Fig. 1: Molecular sketch of some CFCs complexes.References[1] P. Metrangolo, G. Resnati, Science, 321, 918, 2008.[2] A.C. Legon <strong>Ph</strong>ys. Chem. Chem. <strong>Ph</strong>ys. 12, 7736, 2010.[3] L. Evangelisti, F. Gang, P. Ecija, E. J. Cocinero, F. Castano, W. Caminati, Angew.Chem. Int. Ed. 50, 7807, 2011.

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