Experimental and computational analysis (DFT method) of some quinoxalinones and benzoxazinones: spectroscopic investigation (FT-IR, FT-Raman, UV-Vis, NMR)

被引：0

作者：

Jelena Petronijević

Nenad Joksimović

Zorica Bugarčić

Elvira Đurđić

Nenad Janković

机构：

[1] University of Kragujevac,Department of Chemistry, Faculty of Science

[2] University of Novi Sad,Department of Physics, Faculty of Science

来源：

Journal of Chemical Sciences | 2019年 / 131卷

关键词：

Quinoxalinones; 1,4-benzoxazin-2-ones; vibrational analysis; corrosion inhibition; simulated ; C and ; H spectra;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

引用

共 50 条

[21] FT-IR, FT-Raman, NMR and UV-vis spectra, vibrational assignments and DFT calculations of 4-butyl benzoic acid
Karabacak, M.
Cinar, Z.
Kurt, M.
Sudha, S.
Sundaraganesan, N.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2012, 85 (01) : 179 - 189
[22] Combined experimental and quantum chemical studies on spectroscopic (FT-IR, FT-Raman, UV-Vis, and NMR) and structural characteristics of quinoline-5-carboxaldehyde
Kumru, Mustafa
Altun, Ahmet
Kocademir, Mustafa
Kucuk, Vesile
Bardakci, Tayyibe
Sasmaz, Ibrahim
JOURNAL OF MOLECULAR STRUCTURE, 2016, 1125 : 302 - 309
[23] Spectroscopic (FT-IR, FT-Raman and NMR) and computational studies on 3-methoxyaniline
Sivaranjini, T.
Periandy, S.
Govindarajan, M.
Karabacak, M.
Asiri, A. M.
JOURNAL OF MOLECULAR STRUCTURE, 2014, 1056 : 176 - 188
[24] Alkali metal salts of rutin - Synthesis, spectroscopic (FT-IR, FT-Raman, UV-VIS), antioxidant and antimicrobial studies
Samsonowicz, M.
Kaminska, I.
Kalinowska, M.
Lewandowski, W.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 151 : 926 - 938
[25] Spectroscopic (FT-IR, FT-Raman and UV-vis) investigation and frontier molecular orbitals analysis on 3-methyl-2-nitrophenol using hybrid computational calculations
Mahadevan, D.
Periandy, S.
Karabacak, M.
Ramalingam, S.
Puviarasan, N.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2012, 86 : 139 - 151
[26] Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation on 1-phenyl-2-nitropropene by quantum computational calculations
Xavier, S.
Periandy, S.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 149 : 216 - 230
[27] NMR, FT-IR, FT-Raman, UV spectroscopic, HOMO-LUMO and NBO analysis of cumene by quantum computational methods
Sivaranjani, T.
Xavier, S.
Periandy, S.
JOURNAL OF MOLECULAR STRUCTURE, 2015, 1083 : 39 - 47
[28] NMR, FT-IR, Raman and UV-Vis spectroscopic investigation and DFT study of 6-Bromo-3-Pyridinyl Boronic Acid
Dikmen, Gokhan
Alver, Ozgur
JOURNAL OF MOLECULAR STRUCTURE, 2015, 1099 : 625 - 632
[29] Insilico molecular modeling, docking and spectroscopic [FT-IR/FT-Raman/UV/NMR] analysis of Chlorfenson using computational calculations
Ramalingam, S.
Periandy, S.
Sugunakala, S.
Prabhu, T.
Bououdina, M.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2013, 115 : 118 - 135
[30] FT-IR, FT-Raman, NMR and UV-Vis spectra and DFT calculations of 5-bromo-2-ethoxyphenylboronic acid (monomer and dimer structures)
Sas, E. B.
Kose, E.
Kurt, M.
Karabacak, M.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 137 : 1315 - 1333

← 1 2 3 4 5 →