English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/212583
logo share SHARE logo core CORE   Add this article to your Mendeley library MendeleyBASE

Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE
Exportar a otros formatos:


Gas-phase proton affinity and basicity of hydroxybenzophenones

AuthorsCarlos, Luis R.; Loro, Héctor; Lago, A.F.; Dávalos, J.Z.
Proton affinity
Issue Date12-Oct-2018
PublisherElsevier BV
CitationChemical Physics Letters 713: 132-136 (2018)
AbstractThe gas-phase Proton Affinity (PA) and Basicity (GB) of 2-, 3- and 4-hydroxybenzophenone isomers have been experimentally determined by the Extended Kinetic Cooks Method (EKCM), using ESI-TQ Mass Spectrometry. Our results show that 4-hydroxybenzophenone isomer (PA = 912.6 ± 8.4 kJ·mol) is in the order of 10 kJ·mol more basic than the 2- and 3-hydroxybenzophenones isomers. The results have been rationalized and discussed by means of computational DFT calculations at B3LYP/6-311++G(d,p) level of theory.
Description5 p., 4 fig., 1 tab., 1 ap.
Publisher version (URL)http://dx.doi.org/10.1016/j.cplett.2018.10.033
Identifiersdoi: 10.1016/j.cplett.2018.10.033
issn: 0009-2614
Appears in Collections:(IQFR) Artículos
Files in This Item:
There are no files associated with this item.
Show full item record
Review this work

WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.