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

Poster session, H12 125Informations on intermolecular interaction between water and othermolecules from the rotational spectra of the 17 O water complexesGang Feng, Walther Caminati, Luca Evangelisti, Qian GouDepartment of Chemistry, University of Bologna, Italy, gang.feng2@unibo.itFeng G.Caminati W.Evangelisti L.Gou Q.The hydrogen bonding of water with other molecules is a contemporary researchinterest and many studies were focused on this topic. However, how the water interactswith other molecules is still somewhat elusive. In order to reveal the structure, dynamicsand vibration in this kind of complexes, we studied several 17 O water adducts (Fig. 1).The 17 O nuclear spin (I = 5/2) generates quadruple interaction and the obtainedquadruple coupling constants are useful data for this purpose.The changes of the quadruple coupling constants with respect to the ab initio predictedvalue or with respect to the isolated water have been obtained for this purpose.Difluoromethane-Water Dioxane-Water Anisole-WaterFormic acid-WaterFormic acid-(Water) 2Fig. 1: 17 O water complexes have been studied.