Experimental And Theoretical Studies On The Electronic Absorption Spectra Of Quinoline Carboxaldehydes

Kumru, Mustafa

Permalink

https://hdl.handle.net/2142/50808 Copy

Description

Title

Experimental And Theoretical Studies On The Electronic Absorption Spectra Of Quinoline Carboxaldehydes

Author(s)

Kumru, Mustafa

Contributor(s)

• Alfanda, Haidar M
• Kocademir, Mustafa

Issue Date

2014-06-18

Keyword(s)

Comparing theory and experiment

Abstract

We have investigated electronic spectra of some quinoline carboxaldehydes dissolved in water by UV-vis measurements in the range of 190-1100 nm and by theoretical calculations with density functional theory (DFT). The geometrical structures of the quinoline carboxaldehydes have been obtained at the B3LYP/6-311++G(d,p) level, while the electronic absorption spectra have been simulated in water by using time-dependent DFT at the same level. Theoretical and experimental spectra agree to each other very well. Keywords: Electronic spectra, Quinoline carboxaldehydes, DFT [1] V. Kucuk, A. Altun, M. Kumru, Spectrochim. Acta Part A 85 (2012)9298. [2] M. Kumru, V. Kucuk, T. Bardakci, Spectrochim. Acta Part A 90(2012)2834. [3] M. Kumru, V. Kucuk, M. Kocademir, Spectrochim. Acta Part A, 96 (2012) 242251. [4] M. Kumru, V. Kucuk, P. Akyürek, Spectrochim. Acta Part A, 113 (2013) 72–79.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

English

Permalink

http://hdl.handle.net/2142/50808

DOI

https://doi.org/10.15278/isms.2014.WI05

Copyright and License Information

Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/

Owning Collections