4.5 Article

Probing the Charge Transfer in a Frustrated Lewis Pair by Resonance Raman Spectroscopy and DFT Calculations

期刊

CHEMPHYSCHEM
卷 22, 期 6, 页码 522-525

出版社

WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.202001024

关键词

charge transfer; DFT; frustrated Lewis pair; resonance Raman spectroscopy; TDDFT

资金

  1. CAPES [88887.341021/2019-00]
  2. FAPESP [2016/21070-5]
  3. FAPESP/SHELL [RGCI-CAB-P30-PSR-001-00]

向作者/读者索取更多资源

FLP is formed by the collision of Lewis acid and base, and resonance Raman spectroscopy is used to probe the weak interaction involved.
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(C6F5)(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.

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