Theoretical analysis of the absorption spectra of organic dyes differing by the conjugation sequence: illusion of negative solvatochromism

2012 ◽  
Author(s):  
Sergei Manzhos ◽  
Hiroshi Segawa ◽  
Koichi Yamashita
Keyword(s):  
Theoretical Analysis ◽  
Absorption Spectra ◽  
Organic Dyes

Absorption Spectra of the Potential Photodynamic Therapy Photosensitizers Texaphyrins Complexes:  A Theoretical Analysis

2007 ◽  
Vol 3 (3) ◽  
pp. 860-869 ◽  
Author(s):  
Angelo Domenico Quartarolo ◽  
Nino Russo ◽  
Emilia Sicilia ◽  
Francesco Lelj
Keyword(s):  
Photodynamic Therapy ◽  
Theoretical Analysis ◽  
Absorption Spectra

Theoretical analysis of the experimental UV-Vis absorption spectra of some phenolic Schiff bases

2017 ◽  
Vol 115 (19) ◽  
pp. 2460-2468 ◽  
Author(s):  
Jelena Đorović ◽  
Zoran Marković ◽  
Zorica D. Petrović ◽  
Dušica Simijonović ◽  
Vladimir P. Petrović
Keyword(s):  
Theoretical Analysis ◽  
Absorption Spectra ◽  
Schiff Bases

Theoretical analysis of electronic absorption spectra of vitamin B12 models

2001 ◽  
Vol 115 (16) ◽  
pp. 7522-7533 ◽  
Author(s):  
Tadeusz Andruniow ◽  
Pawel M. Kozlowski ◽  
Marek Z. Zgierski
Keyword(s):  
Theoretical Analysis ◽  
Vitamin B12 ◽  
Absorption Spectra ◽  
Electronic Absorption ◽  
Electronic Absorption Spectra

scholarly journals Computational Study on Non-linear Optical and Absorption Properties of Benzothiazole based Dyes: Tunable Electron-Withdrawing Strength and Reverse Polarity

2017 ◽  
Vol 15 (1) ◽  
pp. 139-146 ◽  
Author(s):  
Muhammad Ramzan Saeed Ashraf Janjua
Keyword(s):  
Charge Transfer ◽  
Absorption Spectra ◽  
Organic Dyes ◽  
Computational Study ◽  
Energy Charge ◽  
Reverse Polarity ◽  
Optical Responses ◽  
Non Linear ◽  
Electronic Characteristic ◽  
Linear Optical

AbstractVarious organic dyes possessing characteristic D-π-A-A configuration have been designed in this article. The analysis of the relation between polarity of charge transfer and the unsymmetrical nature of the benzothiazole group has been studied. The absorption spectra, electronic characteristic properties and non-linear optical responses were simulated using a quantum chemical approach. The results have indicated that the systems show higher polarizability (α) and hyperpolarizability (β) with commonly used polarity in comparison to the reverse polarity. A red-shifted absorption spectra were observed with systems having common polarities. This study illustrates the rule to design non-linear optical material with low energy charge transfer excited states and high value of oscillation.

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