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diamine
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Synthesis of New Dithiocarbamate Complexes Based on Diamines Prepard from Cinnamaldehyde
, M.Sc. Thesis Sharif University of Technology ; Saeedi, Mohammad Saeed (Supervisor) ; Ziyaei Halimehjani, Azim (Co-Advisor)
Abstract
Dithiocarbamate is one of the most useful components in the science of chemistry. They are used not only in agriculture as fungicides but also in photochemistry in order to determine and analyse NO in biological processes as well as in polymerization routes. Dithiocarbamates which are known as bidentate ligands with high yield are applied in many fields such as producing chemical drugs, functioning as intermediates in organic synthesis, protecting groups in peptide synthesis as well as highly chelating ligands. Regarding the high practically of dithiocarbamates and by focusing on their synthesis process, we have applied them as bidentate ligands. Cinnamaldehyde was condensed in ethanol with...
Theoretical Investigation of Electronic Absorption Spectra of Conjugated Diamine Compounds to Reproduce Experimental Band Width
, M.Sc. Thesis Sharif University of Technology ; Jamali, Sirous (Supervisor) ; Jamshidi, Zahra (Supervisor)
Abstract
The electronic absorption spectrum is a key tool in studying electronic structure and material identification, enabling the investigation of molecular changes in chemical reactions and the dynamic behavior of molecules in excited states. Accurate calculations of the absorption spectrum require consideration of nuclear motion alongside electronic transitions, achieved by approximations that incorporate the nuclear wavefunction into electronic transitions. In this process, methods that calculate the potential energy surface of the excited state play a pivotal role. In this thesis, we employed the Adiabatic Hessian, Adiabatic Hessian After a Step, Vertical Hessian and Vertical Gradient methods....