Molecular Modelling, Optical and Electrochemical Properties of Novel 3-Arylazo-thieno[3,2-b]pyranone for Photovoltaic Application was written by Elseman, Ahmed M.;Radwan, Ahmed S.;Makhlouf, Mohamed M.;Rashad, Mohamed M.. And the article was included in Russian Journal of General Chemistry in 2022.Recommanded Product: 638-07-3 The following contents are mentioned in the article:
Three 3-arylazo-thieno[3,2-b]pyranone dyes HTM1-3 have been synthesized by cyclocondensation of Et 2-arylazo-(2-phenylthiocarbamoyl)acetate derivatives with Et 4-chloro-3-oxobutanoate in ethanolic sodium ethoxide solution 1R, 1H and, 13C NMR, and mass spectra have confirmed the structure of dyes. The impact of substituents (Me, methoxy and chloride) on phys., chem. and optoelectronic properties of the synthesized dyes has been studied. Optical properties such as extinction coefficient, photoluminescence and optical bandgap of thin films have been studied. The optical energy gap has been computed in the range of 1.97- 2.18 eV. Thermal anal., mol. modeling and electronic energy levels have been investigated. Typically, these small mols. exhibit promising charge carrier mobility and are proposed to be strong candidates for p-type semiconductors (hole transport layer). Overall, because of their excellent optical absorption, appropriate energy-level alignment and favorable mol. packing, the prepared thienopyran materials could be a good choice for solar cell applications and light-harvesting capacity. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3Recommanded Product: 638-07-3).
Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Recommanded Product: 638-07-3
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics