Files in this item

FilesDescriptionFormat

application/vnd.openxmlformats-officedocument.presentationml.presentation

application/vnd.openxmlformats-officedocument.presentationml.presentation1330742.pptx (4MB)
PresentationMicrosoft PowerPoint 2007

application/pdf

application/pdf3626.pdf (21kB)
AbstractPDF

Description

Title:CHALCOGEN-BONDED TETRAFLUORO-1,3-DITHIETANE WATER COMPLEX: WHAT DOES IT TAKE TO INVERT THE WATER?
Author(s):Feng, Gang
Contributor(s):Caminati, Walther ; Grabow, Jens-Uwe ; Gou, Qian ; Li, Xiaolong ; Jin, Yan
Subject(s):Mini-symposium: Non-covalent Interactions
Abstract:The rotational spectrum of the water adduct of tetrafluoro-1,3-dithietane has been investigated by using high resolution rotational spectroscopy. Experimental evidence and quantum theoretical analyses revealed that the two moieties are linked together through a dominant S-O chalcogen bond. The rotational transitions of four isotopologues are split into two component lines due to the internal rotation of the water moiety around its C$_{2}$ axis. In the HDO isotopologue, a small $\mu$$_{c}$ dipole moment component is generated which inverts upon water internal rotation, allowing the experimental determination of the tunneling splitting (21.46(5) GHz). Flexible model calculations can reproduce this splitting when the barrier to water internal rotation is 87.4(2) \wn.
Issue Date:2019-06-17
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/104275
DOI:10.15278/isms.2019.MH06
Rights Information:Copyright 2019 Gang Feng
Date Available in IDEALS:2019-07-15
2020-01-25


This item appears in the following Collection(s)

Item Statistics