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dc.contributorWichita State University. Department of Chemistryen_US
dc.contributor.authorCruz, Arvin John Filoteoen_US
dc.contributor.authorSiam, Khamisen_US
dc.contributor.authorMoore, Curtis E.en_US
dc.contributor.authorIslam, Mohammad R.en_US
dc.contributor.authorRillema, D. Paulen_US
dc.identifier.citationThe journal of physical chemistry. A. 2010 Jul 1; 114(25): 6766-75.en_US
dc.descriptionClick on the 2nd link  below (DOI number) to access the article (may not be free).en_US
dc.description.abstractTwo new derivatives of all-trans retinal, one containing a pyridine and a cyanide substituent, all-trans-15-cyano-15'-pyridylretinal (2), and the other containing two cyanide substituents, all-trans-15,15'-dicyanoretinal (3), have been synthesized from all-trans-retinal (1) by the Knoevenagel reaction. Compound 2 crystallizes in the space group P1; compound 3 crystallizes in the space group P2(1)/n. The polyene chains are bowed. The compounds exhibit C[triple bond]N vibrations in the infrared and Raman regions and undergo irreversible oxidations. Compounds 2 and 3 display electronic absorptions with maxima located at 442 and 487 nm and emission peaks located at 583 and 500 nm, respectively. Density Functional Theory and Time Dependent Density Functional Theory calculations reveal that the electronic transition from the HOMO to the LUMO can be associated with the A(g) --> B(u) electronic transition and a peak corresponding to the HOMO --> LUMO+1 transition can be associated with the "cis-peak".en_US
dc.publisherAmerican Chemical Societyen_US
dc.relation.ispartofseriesThe journal of physical chemistry. Aen_US
dc.relation.ispartofseriesJ Phys Chem Aen_US
dc.titleDicyano and pyridine derivatives of retinal: synthesis and vibronic, electronic, and photophysical propertiesen_US
dc.coverage.spacialUnited Statesen_US
dc.description.versionpeer revieweden_US
dc.rights.holderCopyright © 2010 American Chemical Societyen_US

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