Title
Gas-phase proton affinity and basicity of hydroxybenzophenones
Date Issued
2018
Access level
restricted access
Resource Type
journal article
Author(s)
Publisher(s)
Elsevier B.V.
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−1) is in the order of 10 kJ·mol−1 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. © 2018
Start page
132
End page
136
Volume
713
Number
3
Language
English
Subjects
Scopus EID
2-s2.0-85054821801
Source
Chemical Physics Letters
ISSN of the container
0009-2614
Source funding
MAESTRÍA EN CIENCIAS CON MENCIÓN EN FÍSICA
Sponsor(s)
The support of the Peruvian Scholarship program UNI-agreement N o 167 - 2015 – Fondecyct-UNI, CONCYTEC (Lima, Perú) is gratefully acknowledged. AFL acknowledges the support from the Brazilian funding agencies CNPq , FAPESP and CAPES .
Sources of information:
Directorio de Producción Científica