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    Synthesis, characterization and DFT study of methoxybenzylidene containing chromophores for DSSC materials

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    Type
    Article
    Authors
    Al-Sehemi, Abdullah G.
    Irfan, Ahmad
    Asiri, Abdullah M.
    Ammar, Yousry Ahmed
    KAUST Grant Number
    08-NAN155-7
    Date
    2012-06
    Permanent link to this record
    http://hdl.handle.net/10754/599842
    
    Metadata
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    Abstract
    Novel tricyanovinyl derived from hydrazones have been prepared by the reaction of tetracyanoethylene and phenylethylidene hydrazone, and these dyes showed absorption in the region of 539-650 nm. The dyes showed pronounced solvatochromic effects as the polarity of the solvents changed. The torsion in E isomer is smaller than Z and azo isomers of MBD1 and MBD2. The HOMOs are delocalized on whole of the molecule while LUMOs are distributed on the tricarbonitrile. The LUMO energies are above the conduction band of TiO 2 and HOMOs of the dyes are below the redox couple of MBD1 and MBD2. The HOMO energies, LUMO energies and HOMO-LUMO energy gap of MBD1 and MBD2 are almost same. The absorption spectra of both the dyes in different solvents are approximately same except in cyclohexane. © 2012 Elsevier B.V. All rights reserved.
    Citation
    Al-Sehemi AG, Irfan A, Asiri AM, Ammar YA (2012) Synthesis, characterization and DFT study of methoxybenzylidene containing chromophores for DSSC materials. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 91: 239–243. Available: http://dx.doi.org/10.1016/j.saa.2012.01.016.
    Sponsors
    The present work has been carried out under project No. 08-NAN155-7 funded by KAUST (King Abdulaziz City for Science and Technology) through the Long Term Comprehensive National Plan for Science, Technology and Innovation program.
    Publisher
    Elsevier BV
    Journal
    Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
    DOI
    10.1016/j.saa.2012.01.016
    PubMed ID
    22381797
    ae974a485f413a2113503eed53cd6c53
    10.1016/j.saa.2012.01.016
    Scopus Count
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