Investigation of fused remote N-heterocyclic silylenes (frNHSis), at DFT

被引:0
作者
Esmail Vessally
Abdol Ghaffar Ebadi
Mohammad Reza Poor Heravi
Sepideh Habibzadeh
Zahra Rostami
机构
[1] Payame Noor University,Department of Chemistry
[2] Islamic Azad University,Department of Agriculture, Jouybar Branch
来源
Journal of Molecular Modeling | 2021年 / 27卷
关键词
frNHC; frNHSis; Stability; Nucleophilicity; Electrophilicity;
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
  • [1] Investigation of fused remote N-heterocyclic silylenes (frNHSis), at DFT
    Vessally, Esmail
    Ebadi, Abdol Ghaffar
    Heravi, Mohammad Reza Poor
    Habibzadeh, Sepideh
    Rostami, Zahra
    JOURNAL OF MOLECULAR MODELING, 2021, 27 (10)
  • [2] A DFT quest for effects of fused rings on the stability of remote N-heterocyclic carbenes
    Parvaneh Delir Kheirollahi Nezhad
    Leila Youseftabar-Miri
    Sheida Ahmadi
    Saeideh Ebrahimiasl
    Esmail Vessally
    Structural Chemistry, 2021, 32 : 787 - 798
  • [3] A theoretical evaluation for new fused remote N-heterocyclic silylenes (RNHSis) using density functional theory
    Ghaghaei, Masoud
    Babazadeh, Mirzaagha
    Behmagham, Farnaz
    Edjlali, Ladan
    Vessally, Esmail
    JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2023, 36 (04)
  • [4] Toward stable N-heterocyclic silylenes at theoretical levels
    Kassaee, M. Z.
    Zandi, H.
    Momeni, M. R.
    Shakib, F. A.
    Ghambarian, M.
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 913 (1-3): : 16 - 21
  • [5] The effects of heteroatom substituents on structure, stability, and electronic properties of remote N-heterocyclic germylenes (rNHGes), at DFT
    Cao, Yan
    Heravi, Mohammad Reza Poor
    Habibzadeh, Sepideh
    Ebadi, Abdol Ghaffar
    Shoaei, Seyed Mohammad
    Vessally, Esmail
    JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2022, 35 (07)
  • [6] DFT STUDY OF NEWP-HETEROCYCLIC SILYLENES
    Ayoubi-Chianeh, M.
    Kassaee, M. Z.
    JOURNAL OF STRUCTURAL CHEMISTRY, 2020, 61 (07) : 1017 - 1025
  • [7] Characterization of novel pyridine-derived N-heterocyclic silylenes via density functional theory perspective
    Hassanpour, Akbar
    Heravi, Mohammad Reza Poor
    Rahmani, Zahra
    Ebadi, Abdolghaffar
    Ahmadi, Sheida
    JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2021, 68 (08) : 1405 - 1412
  • [8] Novel N-heterocyclic Stannylenes (NHSns) Using DFT
    Zamanzadeh, A. H.
    Mohebi, N.
    Kassaee, M. Z.
    Cummings, P. T.
    Dong, K.
    PHYSICAL CHEMISTRY RESEARCH, 2019, 7 (03): : 511 - 521
  • [9] A computational perspective of novel N-heterocyclic silylenes using density functional theory
    Hassanpour, Akbar
    Poor Heravi, Mohammad Reza
    Kheirollahi Nezhad, Parvaneh Delir
    Hosseinian, Akram
    Ahmadi, Sheida
    JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2021, 34 (07)
  • [10] A DFT study on pyridine-derived N-heterocyclic carbenes
    Kassaee, M. Z.
    Shakib, F. A.
    Momeni, M. R.
    Ghambarian, M.
    Musavi, S. M.
    TETRAHEDRON, 2009, 65 (48) : 10093 - 10098