Direct Sₙ2 or Sₙ2X manifold─mechanistic study of ion-pair-catalyzed carbon(sp³)-carbon(sp³) bond formation
Density functional theory (DFT) is used in this work to predict the mechanism for constructing congested quaternary-quaternary carbon(sp3)-carbon(sp3) bonds in a pentanidium-catalyzed substitution reaction. Computational mechanistic studies were carried out to investigate the proposed SN2X manifold,...
Main Authors: | Lee, Richmond, Chao, Chi Bong Eric, Ban, Xu, Tan, Siu Min, Yu, Haibo, Hyland, Christopher J. T., Tan, Choon-Hong |
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Other Authors: | School of Physical and Mathematical Sciences |
Format: | Journal Article |
Language: | English |
Published: |
2023
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Subjects: | |
Online Access: | https://hdl.handle.net/10356/164028 |
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