English
español
Please use this identifier to cite or link to this item:
http://hdl.handle.net/10261/212583Share/Impact:
| Statistics |
 SHARE
 CORE
 MendeleyBASE
|
|
|
| Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE | |||
|
|
| Title: | Gas-phase proton affinity and basicity of hydroxybenzophenones |
| Authors: | Carlos, Luis R.; Loro, Héctor; Lago, A.F.; Dávalos, J.Z.  |
| Keywords: | Hydroxybenzophenone Proton affinity Basicity ESI-TQ MS B3LYP |
| Issue Date: | 12-Oct-2018 |
| Publisher: | Elsevier BV |
| Citation: | Chemical Physics Letters 713: 132-136 (2018) |
| Abstract: | The 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. |
| Description: | 5 p., 4 fig., 1 tab., 1 ap. |
| Publisher version (URL): | http://dx.doi.org/10.1016/j.cplett.2018.10.033 |
| URI: | http://hdl.handle.net/10261/212583 |
| DOI: | http://dx.doi.org/10.1016/j.cplett.2018.10.033 |
| Identifiers: | doi: 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
Review this work
WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.