红外光谱法应用于孤立的3-羟基黄酮和2-(2-萘基)-3-羟基色酮激发态下的质子转移反应之后。

IR spectroscopy applied subsequent to a proton transfer reaction in the excited state of isolated 3-hydroxyflavone and 2-(2-naphthyl)-3-hydroxychromone.

作者信息

Bartl K, Funk A, Schwing K, Fricke H, Kock G, Martin H-D, Gerhards M

机构信息

TU Kaiserslautern, Fachbereich Chemie, Erwin-Schrödinger-Str. 52, 67663 Kaiserslautern & Heinrich-Heine Universität Düsseldorf, Institut für Physikalische Chemie I, Universitätsstrasse 26.33.O2, 40225, Düsseldorf.

出版信息

Phys Chem Chem Phys. 2009 Feb 28;11(8):1173-9. doi: 10.1039/b813425a. Epub 2009 Jan 7.

DOI:10.1039/b813425a

PMID:19209360

Abstract

IR/R2PI-spectroscopy has been applied to the electronic ground and electronically excited states of 3-hydroxyflavone (3-HF) and 2-(2-naphthyl)-3-hydroxychromone (2-NHC) in a supersonic jet yielding direct structural information on the educt and product of a proton transfer reaction. We show that IR spectra of the electronically excited states can be recorded subsequent to a photoinduced chemical reaction, in this case a proton transfer. In combination with DFT and TDDFT calculations structural assignments are performed.

摘要

红外/共振增强双光子电离光谱已应用于超音速喷流中3-羟基黄酮（3-HF）和2-（2-萘基）-3-羟基色酮（2-NHC）的电子基态和电子激发态，从而获得质子转移反应反应物和产物的直接结构信息。我们表明，在光致化学反应（在此情况下为质子转移）之后，可以记录电子激发态的红外光谱。结合密度泛函理论（DFT）和含时密度泛函理论（TDDFT）计算进行结构归属。