Harmine derivatives: a comprehensive quantum chemical investigation of the structural, electronic (FMO, NBO, and MEP), and spectroscopic (FT-IR and UV–Vis) properties

被引:0
|
作者
Goncagül Serdaroğlu
机构
[1] Sivas Cumhuriyet University,Department of Mathematics and Science Education, Faculty of Education
来源
Research on Chemical Intermediates | 2020年 / 46卷
关键词
Harmine derivatives; FT-IR; UV–Vis; NBO; FMO; Chemical reactivity;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
页码:961 / 982
页数:21
相关论文
共 50 条
  • [31] Spectroscopic (FT-IR, NMR) and Computational Investigation of 2-(2-Aminoethyl)-1,2,3,4,9-Tetrahydrocarbazole: NBO, NLO, FMO, MEP Analysis
    Serdaroglu, G.
    Uludag, N.
    JOURNAL OF STRUCTURAL CHEMISTRY, 2019, 60 (08) : 1267 - 1284
  • [32] Spectroscopic (FT-IR, NMR) and Computational Investigation of 2-(2-Aminoethyl)-1,2,3,4,9-Tetrahydrocarbazole: NBO, NLO, FMO, MEP Analysis
    G. Serdaroğlu
    N. Uludağ
    Journal of Structural Chemistry, 2019, 60 : 1267 - 1284
  • [33] Synthesis, spectroscopic elucidation (FT-IR, FT-Raman, UV-Vis), electronic properties and biological activities (antimicrobial, docking) of semicarbazide derivative
    Muthu, S.
    Aayisha, S.
    Suresh, M.
    Thamarai, A.
    Muhamed, R. Raj
    Raja, M.
    MATERIALS TODAY-PROCEEDINGS, 2022, 50 : 2847 - 2852
  • [34] Supramolecular assembly of guanidinium benzilate and benzylammonium benzilate: structural and spectroscopic (FT-IR, UV–Vis and photoluminescence) analyses
    Nivithaa Sankar
    Nishanth Sudarsanan
    Esther Jeyanthi Chellathurai
    Nagaraja Karachalacherevu Seetharamai
    Karnan Chandran
    Chemical Papers, 2023, 77 : 6267 - 6284
  • [35] 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
  • [36] Structural, Quantum Chemical, Spectroscopic (UV, FT-IR, FT-Raman and NMR) and Molecular Docking Studies of Diphenylpyraline Hydrochloride as Antihistaminic Drug
    Topaloglu, Sebahattin
    Sagdinc, Seda Guenesdogdu
    POLYCYCLIC AROMATIC COMPOUNDS, 2024, 44 (07) : 4305 - 4335
  • [37] New derivatives of (E,E)-azomethines: Design, quantum chemical modeling, spectroscopic (FT-IR, UV/Vis, polarization) studies, synthesis and their applications: Experimental and theoretical investigations
    Sheikhi, Masoome
    Shahab, Siyamak
    Filippovich, Liudmila
    Yahyaei, Hooriye
    Dikusar, Evgenij
    Khaleghian, Mehrnoosh
    JOURNAL OF MOLECULAR STRUCTURE, 2018, 1152 : 368 - 385
  • [38] Spectroscopic Studies (Geometry Optimization, E → Z Isomerization, UV/Vis, Excited States, FT-IR, HOMO-LUMO, FMO, MEP, NBO, Polarization) and Anisotropy of Thermal and Electrical Conductivity of New Azomethine Dyes in Stretched Polymer Matrix
    Siyamak Shahab
    Masoome Sheikhi
    Liudmila Filippovich
    Mehrnoosh Khaleghian
    Evgenij Dikusar
    Hooriye Yahyaei
    Mostafa Yousefzadeh Borzehandani
    Silicon, 2018, 10 : 2361 - 2385
  • [39] Spectroscopic Studies (Geometry Optimization, E → Z Isomerization, UV/Vis, Excited States, FT-IR, HOMO-LUMO, FMO, MEP, NBO, Polarization) and Anisotropy of Thermal and Electrical Conductivity of New Azomethine Dyes in Stretched Polymer Matrix
    Shahab, Siyamak
    Sheikhi, Masoome
    Filippovich, Liudmila
    Khaleghian, Mehrnoosh
    Dikusar, Evgenij
    Yahyaei, Hooriye
    Borzehandani, Mostafa Yousefzadeh
    SILICON, 2018, 10 (05) : 2361 - 2385
  • [40] Spectroscopic (FT-IR, FT-Raman, UV-vis and NMR) Investigation, Molecular Structure, Docking and Chemical Reactivity Elucidation of Antifungal Drug Tioconazole
    Kumar, Reena Amit
    Singh, Pratibha
    Deval, Vipin
    Gupta, Archana
    POLYCYCLIC AROMATIC COMPOUNDS, 2024, 44 (03) : 1644 - 1668