Show simple item record

dc.creatorTang, Shouyuanen_US
dc.creatorMajerz, Irenaen_US
dc.creatorCaminati, Waltheren_US
dc.date.accessioned2009-07-29T12:48:59Z
dc.date.available2009-07-29T12:48:59Z
dc.date.issued2009en_US
dc.identifier2009-RC-09en_US
dc.identifier.urihttp://hdl.handle.net/1811/38155
dc.descriptionA.~R.~Ubbelhode, K.~J.~Gallagher, \textit{Acta Crystallogr.en_US
dc.descriptionAuthor Institution: College of Bioengineering, ChongQing University, ChongQing, 400044, P. R. China; Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw, Poland; Dipartimento di Chimica "G. Ciamician" dell'Universita, Via Selmi 2, I-40126 Bologna, Italyen_US
dc.description.abstractWe measured the molecular beam Fourier transform microwave spectra of four isotopic species of of the dimer of \textit{tert}-butanol, that is C$_{4}$H$_{9}$-OH$\cdots$O(H)-C$_{4}$H$_{9}$, C$_{4}$H$_{9}$-OH$\cdots$O(D)-C$_{4}$H$_{9}$, C$_{4}$H$_{9}$-OD$\cdots$O(H)-C$_{4}$H$_{9}$, and C$_{4}$H$_{9}$-OD$\cdots$O(D)-C$_{4}$H$_{9}$. We observed that the H -- D isotopic substitution of the hydroxylic hydrogen participating in the O-H$\cdots$O Hydrogen bond in the \textit{tert}-butanol dimer produces an increase of the B and C rotational constants, according to the shrinkage of the O$\cdots$O distance, underlying and sizing the associated Ubbelhode effect. , 1955, 8, 71} The conformation and structure of the complex, and an estimation of the Ubbelhode effect have been obtained by combining the experimental data with the results of MP2/6-311++G** ab initio calculations.en_US
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleSIZING THE UBBELHODE EFFECT: THE ROTATIONAL SPECTRUM OF \textit{TERT}-BUTYLALCOHOL DIMERen_US
dc.typeArticleen_US


Files in this item

Thumbnail
Thumbnail
Thumbnail
Thumbnail
Thumbnail
Thumbnail
Thumbnail
Thumbnail
Thumbnail
Thumbnail
Thumbnail
Thumbnail
Thumbnail
Thumbnail
Thumbnail
Thumbnail
Thumbnail

Items in Knowledge Bank are protected by copyright, with all rights reserved, unless otherwise indicated.

This item appears in the following Collection(s)

Show simple item record