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Arkivoc, volume 2017, issue 3, pages 346-364
Design and theoretical study of D-A-π-A' organic sensitizers with [1,2,5]oxa-, thia- or selenadiazoloazine fragment
Publication type: Journal Article
Publication date: 2017-10-11
Organic Chemistry
Abstract
A theoretical study and design of novel sensitizers based on D–A–π–A concept is fulfilled. The study shows a key role of central A-block for wavelength in UV-Vis spectra. Chalcogen of higher period as well as additional nitrogen in central A-block provide a noticeable red shift. The maximum wavelengths are observed for aliphatic/alicyclic D-blocks. The maximum oscillator strengths are observed for the planar D-block and increase along with its charge. Structure-spectral property relationships of sensitizers are studied using CRAQC (Correlation and Regression Analysis of Quantum Calculations). A method for chromophore determination is invented.
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Potemkin V. et al. Design and theoretical study of D-A-π-A' organic sensitizers with [1,2,5]oxa-, thia- or selenadiazoloazine fragment // Arkivoc. 2017. Vol. 2017. No. 3. pp. 346-364.
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Potemkin V., Bolshakov O., Safiullin A., Potemkin A., Grishina M. Design and theoretical study of D-A-π-A' organic sensitizers with [1,2,5]oxa-, thia- or selenadiazoloazine fragment // Arkivoc. 2017. Vol. 2017. No. 3. pp. 346-364.
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TY - JOUR
DO - 10.24820/ark.5550190.p010.228
UR - https://doi.org/10.24820%2Fark.5550190.p010.228
TI - Design and theoretical study of D-A-π-A' organic sensitizers with [1,2,5]oxa-, thia- or selenadiazoloazine fragment
T2 - Arkivoc
AU - Potemkin, V
AU - Bolshakov, O
AU - Safiullin, A
AU - Potemkin, A
AU - Grishina, M
PY - 2017
DA - 2017/10/11 00:00:00
PB - Arkat USA
SP - 346-364
IS - 3
VL - 2017
SN - 1551-7004
SN - 1551-7012
ER -
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@article{2017_Potemkin,
author = {V Potemkin and O Bolshakov and A Safiullin and A Potemkin and M Grishina},
title = {Design and theoretical study of D-A-π-A' organic sensitizers with [1,2,5]oxa-, thia- or selenadiazoloazine fragment},
journal = {Arkivoc},
year = {2017},
volume = {2017},
publisher = {Arkat USA},
month = {oct},
url = {https://doi.org/10.24820%2Fark.5550190.p010.228},
number = {3},
pages = {346--364},
doi = {10.24820/ark.5550190.p010.228}
}
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Potemkin, V., et al. “Design and theoretical study of D-A-π-A' organic sensitizers with [1,2,5]oxa-, thia- or selenadiazoloazine fragment.” Arkivoc, vol. 2017, no. 3, Oct. 2017, pp. 346-364. https://doi.org/10.24820%2Fark.5550190.p010.228.
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