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Article: Photophysical Properties Controlled by Substituents with Lone-Pair Electrons at the Ortho- or Para-Positions of Fluoroquinolone Antibiotics

TitlePhotophysical Properties Controlled by Substituents with Lone-Pair Electrons at the Ortho- or Para-Positions of Fluoroquinolone Antibiotics
Authors
Issue Date2019
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journal/jpcbfk
Citation
The Journal of Physical Chemistry B, 2019, v. 123, p. 3156-3162 How to Cite?
AbstractThe ortho- or para-substituents of NH 2 or N-alkyl-containing lone-pair electrons were found to change the energy levels and transition configurations of the highest occupied molecular orbital for some fluoroquinolone-based antibiotics (FQs) and can significantly influence the electronic structure, intermolecular hydrogen bonding, internal conversion, and fluorescence and intersystem crossing efficiencies of FQs in acetonitrile or aqueous solution after photoexcitation. These findings provide new insights that can help in the molecular design strategies to regulate the photophysical properties of photosensitive medicines, photodynamic therapy reagents, and energy conversion materials that contain similar aromatic carbonyl structures. Copyright © 2019 American Chemical Society.
Persistent Identifierhttp://hdl.handle.net/10722/279295
ISSN
2019 Impact Factor: 2.857
2015 SCImago Journal Rankings: 1.414
ISI Accession Number ID

 

DC FieldValueLanguage
dc.contributor.authorZhao, J-
dc.contributor.authorZhang, X-
dc.contributor.authorZhu, R-
dc.contributor.authorSu, T-
dc.contributor.authorPhillips, DL-
dc.date.accessioned2019-10-25T13:52:57Z-
dc.date.available2019-10-25T13:52:57Z-
dc.date.issued2019-
dc.identifier.citationThe Journal of Physical Chemistry B, 2019, v. 123, p. 3156-3162-
dc.identifier.issn1520-6106-
dc.identifier.urihttp://hdl.handle.net/10722/279295-
dc.description.abstractThe ortho- or para-substituents of NH 2 or N-alkyl-containing lone-pair electrons were found to change the energy levels and transition configurations of the highest occupied molecular orbital for some fluoroquinolone-based antibiotics (FQs) and can significantly influence the electronic structure, intermolecular hydrogen bonding, internal conversion, and fluorescence and intersystem crossing efficiencies of FQs in acetonitrile or aqueous solution after photoexcitation. These findings provide new insights that can help in the molecular design strategies to regulate the photophysical properties of photosensitive medicines, photodynamic therapy reagents, and energy conversion materials that contain similar aromatic carbonyl structures. Copyright © 2019 American Chemical Society.-
dc.languageeng-
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journal/jpcbfk-
dc.relation.ispartofThe Journal of Physical Chemistry B-
dc.rightsThis document is the Accepted Manuscript version of a Published Work that appeared in final form in [JournalTitle], copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [insert ACS Articles on Request author-directed link to Published Work, see http://pubs.acs.org/page/policy/articlesonrequest/index.html].-
dc.titlePhotophysical Properties Controlled by Substituents with Lone-Pair Electrons at the Ortho- or Para-Positions of Fluoroquinolone Antibiotics-
dc.typeArticle-
dc.identifier.emailZhang, X: heeteen@hku.hk-
dc.identifier.emailPhillips, DL: phillips@hku.hk-
dc.identifier.authorityPhillips, DL=rp00770-
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1021/acs.jpcb.8b10859-
dc.identifier.pmid30900898-
dc.identifier.scopuseid_2-s2.0-85064637159-
dc.identifier.hkuros308138-
dc.identifier.volume123-
dc.identifier.spage3156-
dc.identifier.epage3162-
dc.identifier.isiWOS:000465488300003-
dc.publisher.placeUnited States-

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