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• W623378905 endingPage "7328" @default.
• W623378905 startingPage "7322" @default.
• W623378905 abstract "The Cl-−C6H5CH3·Ar, Cl-−C6H5NH2·Ar, and Cl-−C6H5OH·Ar anion complexes are investigated using infrared photodissociation spectroscopy and ab initio calculations at the MP2/aug-cc-pVDZ level. The results indicate that for Cl-−C6H5NH2 and Cl-−C6H5OH, the Cl- anion is attached to the substituent group by a single near-linear hydrogen bond. For Cl-−C6H5CH3, the Cl- is attached to an ortho-hydrogen atom on the aromatic ring and to a hydrogen atom on the methyl group by a weaker hydrogen bond. The principal spectroscopic consequence of the hydrogen-bonding interaction in the three complexes is a red-shift and intensity increase for the CH, NH, and OH stretching modes. Complexities in the infrared spectra in the region of the hydrogen-bonded XH stretch band are associated with Fermi resonances between the hydrogen-stretching vibrational modes and bending overtone and combination levels. There are notable correlations between the vibrational red-shift, the elongation of the H-bonded XH group, and the proton affinity of the aromatic molecule's conjugate base." @default.
• W623378905 created "2016-06-24" @default.
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• W623378905 date "2007-05-27" @default.
• W623378905 modified "2023-10-17" @default.
• W623378905 title "Interactions between the Chloride Anion and Aromatic Molecules: Infrared Spectra of the Cl^-−C₆H₅CH₃, Cl^-−C₆H₅NH₂ and Cl^-−C₆H₅OH Complexes" @default.
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• W623378905 doi "https://doi.org/10.1021/jp070453r" @default.
• W623378905 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17530825" @default.
• W623378905 hasPublicationYear "2007" @default.
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