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Probing the Charge Transfer in a Frustrated Lewis Pair by Resonance Raman Spectroscopy and DFT Calculations
Author(s) -
Marques Leandro Ramos,
Ando Rômulo Augusto
Publication year - 2021
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.202001024
Subject(s) - frustrated lewis pair , resonance raman spectroscopy , chemistry , adduct , raman spectroscopy , lewis acids and bases , resonance (particle physics) , steric effects , borane , covalent bond , density functional theory , phosphine , spectroscopy , chromophore , photochemistry , nuclear magnetic resonance spectroscopy , computational chemistry , crystallography , stereochemistry , atomic physics , organic chemistry , catalysis , physics , quantum mechanics , optics
A classical Lewis adduct derives from a covalent bond between a Lewis acid and a base. When the adduct formation is precluded by means of steric hindrance the association of the respective acid‐base molecular system is defined as a frustrated Lewis pair (FLP). In this work, the archetypal FLP Mes 3 P/B(C 6 F 5 ) 3 was characterized for the first time by resonance Raman spectroscopy, and the results were supported by density functional theory (DFT) calculations. The charge transfer nature of the lowest energy electronic transition, from phosphine to borane, was confirmed by the selective enhancement of the Raman bands associated to the FLP chromophore at resonance condition. Herein, we demonstrate the use of resonance Raman spectroscopy as a distinguished technique to probe the weak interaction involved in FLP chemistry.