Publicación:
Gas-phase proton affinity and basicity of hydroxybenzophenones
Gas-phase proton affinity and basicity of hydroxybenzophenones
| dc.contributor.author | Carlos L.R. | es_PE |
| dc.contributor.author | Loro H. | es_PE |
| dc.contributor.author | Lago A.F. | es_PE |
| dc.contributor.author | Dávalos J.Z. | es_PE |
| dc.date.accessioned | 2024-05-30T23:13:38Z | |
| dc.date.available | 2024-05-30T23:13:38Z | |
| dc.date.issued | 2018 | |
| dc.description | The support of the Peruvian Scholarship program UNI-agreement No 167 - 2015 – Fondecyct-UNI, CONCYTEC (Lima, Perú) is gratefully acknowledged. AFL acknowledges the support from the Brazilian funding agencies CNPq, FAPESP and CAPES. | |
| dc.description.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. | |
| dc.description.sponsorship | Consejo Nacional de Ciencia, Tecnología e Innovación Tecnológica - Concytec | |
| dc.identifier.doi | https://doi.org/10.1016/j.cplett.2018.10.033 | |
| dc.identifier.scopus | 2-s2.0-85054821801 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12390/624 | |
| dc.language.iso | eng | |
| dc.publisher | Elsevier B.V. | |
| dc.relation.ispartof | Chemical Physics Letters | |
| dc.rights | info:eu-repo/semantics/openAccess | |
| dc.subject | Proton affinity | |
| dc.subject | Alkalinity | es_PE |
| dc.subject | Computation theory | es_PE |
| dc.subject | Gases | es_PE |
| dc.subject | Ketones | es_PE |
| dc.subject | Mass spectrometry | es_PE |
| dc.subject | Plants (botany) | es_PE |
| dc.subject | B3LYP | es_PE |
| dc.subject | B3LYP/6-311++G | es_PE |
| dc.subject | DFT calculation | es_PE |
| dc.subject | ESI-TQ MS | es_PE |
| dc.subject | Gasphase | es_PE |
| dc.subject | Hydroxybenzophenone | es_PE |
| dc.subject | Isomers | es_PE |
| dc.subject.ocde | https://purl.org/pe-repo/ocde/ford#1.04.00 | |
| dc.title | Gas-phase proton affinity and basicity of hydroxybenzophenones | |
| dc.type | info:eu-repo/semantics/article | |
| dspace.entity.type | Publication | |
| oairecerif.author.affiliation | #PLACEHOLDER_PARENT_METADATA_VALUE# | |
| oairecerif.author.affiliation | #PLACEHOLDER_PARENT_METADATA_VALUE# | |
| oairecerif.author.affiliation | #PLACEHOLDER_PARENT_METADATA_VALUE# |