A theoretical study on 1H-indole-2,3-dione complexes with lithium, sodium, and potassium cations

被引：0
|
作者：
Fatma Genc
Fatma Kandemirli
Serap Senturk Dalgic
机构：
[1] Istanbul YeniYuzyil University,Department of Analytical Chemistry, Faculty of Pharmacy
[2] Kastamonu University,Biomedical Engineering Department, Faculty of Engineering & Architecture
[3] Trakya University,Department of Physics, Atomic and Molecular Physics, Faculty of Science
来源：
Journal of Molecular Modeling | 2024年 / 30卷
关键词：
Charge transfer; HOMA; Frontier molecular orbital; Mulliken atomic charges; Quantum theory; Natural bond orbital;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [41] Synthesis and antituberculosis activity of 5-methyl/trifluoromethoxy-1H-indole-2,3-dione 3-thiosemicarbazone derivatives
    Guzel, Ozlen
    Karali, Nilguen
    Salman, Aydin
    BIOORGANIC & MEDICINAL CHEMISTRY, 2008, 16 (19) : 8976 - 8987
  • [42] Synthesis of 1H-pyrrolo[2,3-b]phenoxathiin-2,3-dione
    Loloiu G.
    Loloiu T.
    Maior O.
    Chemistry of Heterocyclic Compounds, 1998, 34 (3) : 363 - 366
  • [43] Synthesis of 1H-pyrrolo[2,3-b]phenoxathiin-2,3-dione
    Chem. Heterocycl. Compd., 3 (363-366):
  • [44] Complexes of tin (IV) with some bidentate Schiff bases derived from 1-H-indol-2,3-dione
    Kriza, A
    Parnau, C
    ACTA CHIMICA SLOVENICA, 2001, 48 (03) : 445 - 452
  • [45] Synthesis, molecular modeling and antiviral activity of novel 5-fluoro-1H-indole-2,3-dione 3-thiosemicarbazones
    Sevincli, Zekiye Seyma
    Duran, Gizem Nur
    Ozbil, Mehmet
    Karali, Nilgun
    BIOORGANIC CHEMISTRY, 2020, 104
  • [46] Spectroscopic characterization and theoretical simulation of 1,4-diallylquinoxaline-2,3-dione self dimer
    Azzouzi, F.
    Lyazidi, S. Ait
    Haddad, M.
    Lamotte, M.
    Essassi, E. M.
    Hnach, M.
    Zenkouar, M.
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2007, 67 (05) : 1263 - 1269
  • [47] Theoretical study of the adsorption of lithium, sodium and potassium on pyridine
    Denis, Pablo A.
    CHEMICAL PHYSICS LETTERS, 2021, 784
  • [48] Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-dmydro-1H-inaole-2,3-dione
    Rayni, Ibtissam
    El Bakri, Youness
    Lai, Chin-Hung
    Sebhaoui, Jihad
    Essassi, El Mokh Tar
    Mague, Joel T.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2019, 75 : 1140 - +
  • [49] Antiviral activity and molecular modeling studies on 1H-indole-2,3-diones carrying a naphthalene moiety
    Soylu-Eter, Ozge
    Duran, Gizem Nur
    Ozbil, Mehmet
    Goktas, Fuesun
    Cihan-Ustundag, Gokce
    Karali, Nilgun
    JOURNAL OF MOLECULAR STRUCTURE, 2023, 1281
  • [50] 1 H-Indole-2,3-dione 3-thiosemicarbazones Carrying a 4-sulfamoylphenyl Moiety with Selective Antiviral Activity Reovirus-1
    Goktas, Fusun
    Duran, Gizem Nur
    Ozbil, Mehmet
    Soylu-Eter, Ozge
    Karali, Nilgun
    ACTA CHIMICA SLOVENICA, 2024, 71 (02) : 215 - 225
12345