Substituent effects on stability, MEP, NBO analysis, and reactivity of 2,2,9,9-tetrahalosilacyclonona-3,5,7-trienylidenes, at density functional theory

被引:0
|
作者
Maryam Koohi
Hajieh Bastami
机构
[1] Islamic Azad University,Young Researchers and Elites Club, North Tehran Branch
[2] Islamic Azad University,Department of Chemistry, North Tehran Branch
[3] University of Tehran,Technical and Vocational
来源
Monatshefte für Chemie - Chemical Monthly | 2020年 / 151卷
关键词
Silylene; Stability; Carbene-like species; Isodesmic reaction;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
页码:11 / 23
页数:12
相关论文
共 6 条
  • [1] Substituent effects on stability, MEP, NBO analysis, and reactivity of 2,2,9,9-tetrahalosilacyclonona-3,5,7-trienylidenes, at density functional theory
    Koohi, Maryam
    Bastami, Hajieh
    MONATSHEFTE FUR CHEMIE, 2020, 151 (01): : 11 - 23
  • [2] A density functional theory perspective on 2,2,9,9-tetrahalostannacyclonona-3,5,7-trienylidenes
    Bastami, Hajieh
    Koohi, Maryam
    JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2020, 33 (01)
  • [3] A quest for stable 2,2,9,9-tetrahaloplumbacyclonona-3,5,7-trienylidenes at density functional theory
    Maryam Koohi
    Hajieh Bastami
    Structural Chemistry, 2020, 31 : 877 - 898
  • [4] A quest for stable 2,2,9,9-tetrahaloplumbacyclonona-3,5,7-trienylidenes at density functional theory
    Koohi, Maryam
    Bastami, Hajieh
    STRUCTURAL CHEMISTRY, 2020, 31 (03) : 877 - 898
  • [5] Substituent effects on cyclonona-3,5,7-trienylidenes: a quest for stable carbenes at density functional theory level
    Koohi, Maryam
    Kassaee, Mohammad Zaman
    Haerizade, Bibi Narjes
    Ghavami, Monireh
    Ashenagar, Samaneh
    JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2015, 28 (08) : 514 - 526
  • [6] Doping effects on the optoelectronic properties and the stability of Cs3Sb2I9 : Density functional theory insights on photovoltaics and light-emitting devices
    Exner, Arthur
    Gouvea, Rogerio Almeida
    Koeche, Ariadne
    Khan, Sherdil
    Leite Santos, Jacqueline Ferreira
    Leite Santos, Marcos Jose
    JOURNAL OF SCIENCE-ADVANCED MATERIALS AND DEVICES, 2024, 9 (02):