Theoretical study of substituent effects on structural properties of arylazo pyridone dyes

Dostanić, Jasmina; Lončarević, Davor; Zlatar, Matija

2014

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Authors

Dostanić, Jasmina

Lončarević, Davor

Zlatar, Matija

Conference object (Published version)

Society of Physical Chemists of Serbia

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Abstract

Quantum chemical calculations performed by the density functional theory (DFT) were used to determine the structural parameters of arylazo pyridone dyes. The influence of electronic effects of substituent in diazo moiety of dyes on their structure properties was studied and quantified using Hammett equation. The correlation between dye bond length and Hammett substituent constants σp gave us possibility to locate the most sensitive bond to substituent effects.

Keywords:

arylazo pyridone dyes / Hammett substituent constants / DFT

Source:
Physical Chemistry 2014 – 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry, 2014, 1, 180-183

Publisher:

Society of Physical Chemists of Serbia
Društvo fizikohemičara Srbije

TY  - CONF
AU  - Dostanić, Jasmina
AU  - Lončarević, Davor
AU  - Zlatar, Matija
PY  - 2014
UR  - http://www.socphyschemserb.org/en/events/pc2014/
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2902
AB  - Quantum chemical calculations performed by the density functional theory (DFT) were used to determine the structural parameters of arylazo pyridone dyes. The influence of electronic effects of substituent in diazo moiety of dyes on their structure properties was studied and quantified using Hammett equation. The correlation between dye bond length and Hammett substituent constants σp gave us possibility to locate the most sensitive bond to substituent effects.
PB  - Society of Physical Chemists of Serbia
PB  - Društvo fizikohemičara Srbije
C3  - Physical Chemistry 2014 – 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry
T1  - Theoretical study of substituent effects on structural properties of arylazo pyridone dyes
VL  - 1
SP  - 180
EP  - 183
UR  - https://hdl.handle.net/21.15107/rcub_cer_2902
ER  -

@conference{
author = "Dostanić, Jasmina and Lončarević, Davor and Zlatar, Matija",
year = "2014",
abstract = "Quantum chemical calculations performed by the density functional theory (DFT) were used to determine the structural parameters of arylazo pyridone dyes. The influence of electronic effects of substituent in diazo moiety of dyes on their structure properties was studied and quantified using Hammett equation. The correlation between dye bond length and Hammett substituent constants σp gave us possibility to locate the most sensitive bond to substituent effects.",
publisher = "Society of Physical Chemists of Serbia, Društvo fizikohemičara Srbije",
journal = "Physical Chemistry 2014 – 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry",
title = "Theoretical study of substituent effects on structural properties of arylazo pyridone dyes",
volume = "1",
pages = "180-183",
url = "https://hdl.handle.net/21.15107/rcub_cer_2902"
}

Dostanić, J., Lončarević, D.,& Zlatar, M.. (2014). Theoretical study of substituent effects on structural properties of arylazo pyridone dyes. in Physical Chemistry 2014 – 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry
Society of Physical Chemists of Serbia., 1, 180-183.
https://hdl.handle.net/21.15107/rcub_cer_2902

Dostanić J, Lončarević D, Zlatar M. Theoretical study of substituent effects on structural properties of arylazo pyridone dyes. in Physical Chemistry 2014 – 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry. 2014;1:180-183.
https://hdl.handle.net/21.15107/rcub_cer_2902 .

Dostanić, Jasmina, Lončarević, Davor, Zlatar, Matija, "Theoretical study of substituent effects on structural properties of arylazo pyridone dyes" in Physical Chemistry 2014 – 12th International Conference on Fundamental and Applied Aspects of Physical Chemistry, 1 (2014):180-183,
https://hdl.handle.net/21.15107/rcub_cer_2902 .