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Mechanistic Insight into the CO 2 Capture by Amidophosphoranes: Interplay of the Ring Strain and the trans Influence Determines the Reactivity of the Frustrated Lewis Pairs
Author(s) -
Zhu Jun,
An Ke
Publication year - 2013
Publication title -
chemistry – an asian journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.18
H-Index - 106
eISSN - 1861-471X
pISSN - 1861-4728
DOI - 10.1002/asia.201300864
Subject(s) - reactivity (psychology) , frustrated lewis pair , strain (injury) , ring (chemistry) , ring strain , lewis acids and bases , chemistry , chemical physics , catalysis , biology , medicine , organic chemistry , alternative medicine , pathology , anatomy
CO 2 capture has attracted increasing attention owing to its contribution to global warming and climate change as a greenhouse gas. As an alternative strategy to transition‐metal‐based chemistry and catalysis , frustrated Lewis pairs have been developed to sequester CO 2 efficiently under mild conditions. However, the mechanism of CO 2 sequestration with amidophosphoranes remains unclear. Herein, we present a thorough density functional theory study on a series of amidophosphoranes. Our results reveal that the interplay of the ring strain and the trans influence determines the reactivities, thus opening a new avenue to the design of frustrated Lewis pairs for CO 2 capture.