Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides
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Matijevic, Borko M.Vastag, Dendi D.
Perisic-Janjic, Nada U.
Apostolov, Suzana Lj
Milčić, Miloš K.
Zivanovic, Lidija
Marinković, Aleksandar
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UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides have been recorded in the range 200-400 nm in the set of selected solvents. The solute-solvent interactions were analyzed on the basis of linear solvation energy relationships (LSER) concept proposed by Kamlet and Taft. The effects of substituents on the absorption spectra were interpreted by correlation of absorption frequencies with Hammett substituent constant, sigma. It was found that substituents significantly change the extent of conjugation. Furthermore, the experimental findings were interpreted with the aid of ab initio B3LYP/6-311G(d,p) method. Electronic energies was calculated by the use of 6-311++G(3df,3pd) methods with standard polarized continuum model (PCM) for inclusion of the solvent effect. (C) 2013 Elsevier B.V. All rights reserved.
Keywords:
N-(substituted phenyl)-2-cyanoacetamides / UV absorption spectra / Solvent effects / Substituent effects / Ab initio MO calculationSource:
Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy, 2014, 117, 568-575Publisher:
- Pergamon-Elsevier Science Ltd, Oxford
Funding / projects:
- Study of the Synthesis, Structure and Activity of Natural and Synthetic Organic Compounds (RS-MESTD-Basic Research (BR or ON)-172013)
DOI: 10.1016/j.saa.2013.08.040
ISSN: 1386-1425
PubMed: 24041496
WoS: 000328179900075
Scopus: 2-s2.0-84883736756
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Hemijski fakultet / Faculty of ChemistryTY - JOUR AU - Matijevic, Borko M. AU - Vastag, Dendi D. AU - Perisic-Janjic, Nada U. AU - Apostolov, Suzana Lj AU - Milčić, Miloš K. AU - Zivanovic, Lidija AU - Marinković, Aleksandar PY - 2014 UR - https://cherry.chem.bg.ac.rs/handle/123456789/1454 AB - UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides have been recorded in the range 200-400 nm in the set of selected solvents. The solute-solvent interactions were analyzed on the basis of linear solvation energy relationships (LSER) concept proposed by Kamlet and Taft. The effects of substituents on the absorption spectra were interpreted by correlation of absorption frequencies with Hammett substituent constant, sigma. It was found that substituents significantly change the extent of conjugation. Furthermore, the experimental findings were interpreted with the aid of ab initio B3LYP/6-311G(d,p) method. Electronic energies was calculated by the use of 6-311++G(3df,3pd) methods with standard polarized continuum model (PCM) for inclusion of the solvent effect. (C) 2013 Elsevier B.V. All rights reserved. PB - Pergamon-Elsevier Science Ltd, Oxford T2 - Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy T1 - Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides VL - 117 SP - 568 EP - 575 DO - 10.1016/j.saa.2013.08.040 ER -
@article{ author = "Matijevic, Borko M. and Vastag, Dendi D. and Perisic-Janjic, Nada U. and Apostolov, Suzana Lj and Milčić, Miloš K. and Zivanovic, Lidija and Marinković, Aleksandar", year = "2014", abstract = "UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides have been recorded in the range 200-400 nm in the set of selected solvents. The solute-solvent interactions were analyzed on the basis of linear solvation energy relationships (LSER) concept proposed by Kamlet and Taft. The effects of substituents on the absorption spectra were interpreted by correlation of absorption frequencies with Hammett substituent constant, sigma. It was found that substituents significantly change the extent of conjugation. Furthermore, the experimental findings were interpreted with the aid of ab initio B3LYP/6-311G(d,p) method. Electronic energies was calculated by the use of 6-311++G(3df,3pd) methods with standard polarized continuum model (PCM) for inclusion of the solvent effect. (C) 2013 Elsevier B.V. All rights reserved.", publisher = "Pergamon-Elsevier Science Ltd, Oxford", journal = "Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy", title = "Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides", volume = "117", pages = "568-575", doi = "10.1016/j.saa.2013.08.040" }
Matijevic, B. M., Vastag, D. D., Perisic-Janjic, N. U., Apostolov, S. L., Milčić, M. K., Zivanovic, L.,& Marinković, A.. (2014). Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy Pergamon-Elsevier Science Ltd, Oxford., 117, 568-575. https://doi.org/10.1016/j.saa.2013.08.040
Matijevic BM, Vastag DD, Perisic-Janjic NU, Apostolov SL, Milčić MK, Zivanovic L, Marinković A. Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides. in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy. 2014;117:568-575. doi:10.1016/j.saa.2013.08.040 .
Matijevic, Borko M., Vastag, Dendi D., Perisic-Janjic, Nada U., Apostolov, Suzana Lj, Milčić, Miloš K., Zivanovic, Lidija, Marinković, Aleksandar, "Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides" in Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy, 117 (2014):568-575, https://doi.org/10.1016/j.saa.2013.08.040 . .