Please use this identifier to cite or link to this item:
https://hdl.handle.net/10216/93525
Full metadata record
DC Field | Value | Language |
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dc.creator | Juan Z Davalos | |
dc.creator | Andres Guerrero | |
dc.creator | Rebeca Herrero | |
dc.creator | Pilar Jimenez | |
dc.creator | Antonio Chana | |
dc.creator | Jose Luis M Abboud | |
dc.creator | Carlos F R A C Lima | |
dc.creator | Luis M N B F Santos | |
dc.creator | Alexsandre F Lago | |
dc.date.accessioned | 2022-09-09T21:05:02Z | - |
dc.date.available | 2022-09-09T21:05:02Z | - |
dc.date.issued | 2010 | |
dc.identifier.issn | 0022-3263 | |
dc.identifier.other | sigarra:49513 | |
dc.identifier.uri | https://hdl.handle.net/10216/93525 | - |
dc.description.abstract | We have carried out a study of the energetics, structural, and physical properties of o-, m-, and p-hydroxybenzophenone neutral molecules, C(13)H(10)O(2), and their corresponding anions. In particular, the standard enthalpies of formation in the gas phase at 298.15 K for all of these species were determined. A reliable experimental estimation of the enthalpy associated with intramolecular hydrogen bonding in chelated species was experimentally obtained. The gas-phase acidities (GA) of benzophenones, substituted phenols, and several aliphatic alcohols are compared with the corresponding aqueous acidities (pK(a)), covering a range of 278 kJ.mol(-1) in GA and 11.4 in pK(a). A computational study of the various species shed light on structural effects and further confirmed the self-consistency of the experimental results. | |
dc.language.iso | eng | |
dc.rights | restrictedAccess | |
dc.subject | Química | |
dc.subject | Chemical sciences | |
dc.title | Neutral, Ion Gas-Phase Energetics and Structural Properties of Hydroxybenzophenones | |
dc.type | Artigo em Revista Científica Internacional | |
dc.contributor.uporto | Faculdade de Ciências | |
dc.identifier.doi | 10.1021/jo100085b | |
dc.identifier.authenticus | P-003-7F6 | |
dc.subject.fos | Ciências exactas e naturais::Química | |
dc.subject.fos | Natural sciences::Chemical sciences | |
Appears in Collections: | FCUP - Artigo em Revista Científica Internacional |
Files in This Item:
File | Description | Size | Format | |
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49513.pdf Restricted Access | 1.72 MB | Adobe PDF | Request a copy from the Author(s) |
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