Synthesis, characterization and DFT study of methoxybenzylidene containing chromophores for DSSC materials
Type
ArticleKAUST Grant Number
08-NAN155-7Date
2012-06Permanent link to this record
http://hdl.handle.net/10754/599842
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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 BVPubMed ID
22381797ae974a485f413a2113503eed53cd6c53
10.1016/j.saa.2012.01.016