Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides
Само за регистроване кориснике
2014
Аутори
Matijević, Borko M.Vaštag, Đenđi
Perišić-Janjić, Nada
Apostolov, Suzana
Milčić, Miloš
Zivanović, Lidija
Marinković, Aleksandar
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
N-(substituted phenyl)-2-cyanoacetamides / UV absorption spectra / Solvent effects / Substituent effects / Ab initio MO calculationИзвор:
Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy, 2014, 117, 568-575Издавач:
- Pergamon-Elsevier Science Ltd, Oxford
Финансирање / пројекти:
- Проучавање синтезе, структуре и активности органских једињења природног и синтетског порекла (RS-172013)
DOI: 10.1016/j.saa.2013.08.040
ISSN: 1386-1425
PubMed: 24041496
WoS: 000328179900075
Scopus: 2-s2.0-84883736756
Институција/група
Tehnološko-metalurški fakultetTY - JOUR AU - Matijević, Borko M. AU - Vaštag, Đenđi AU - Perišić-Janjić, Nada AU - Apostolov, Suzana AU - Milčić, Miloš AU - Zivanović, Lidija AU - Marinković, Aleksandar PY - 2014 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2754 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. 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 EP - 575 SP - 568 VL - 117 DO - 10.1016/j.saa.2013.08.040 ER -
@article{ author = "Matijević, Borko M. and Vaštag, Đenđi and Perišić-Janjić, Nada and Apostolov, Suzana and Milčić, Miloš and Zivanović, 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.", 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", pages = "575-568", volume = "117", doi = "10.1016/j.saa.2013.08.040" }
Matijević, B. M., Vaštag, Đ., Perišić-Janjić, N., Apostolov, S., Milčić, M., Zivanović, 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
Matijević BM, Vaštag Đ, Perišić-Janjić N, Apostolov S, Milčić M, Zivanović 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 .
Matijević, Borko M., Vaštag, Đenđi, Perišić-Janjić, Nada, Apostolov, Suzana, Milčić, Miloš, Zivanović, 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 . .