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

被引：26

作者：

Bartl, K. ^{[1
,2
]}

Funk, A. ^{[1
,2
]}

Schwing, K. ^{[1
,2
]}

Fricke, H. ^{[1
,2
]}

Kock, G. ^{[3
]}

Martin, H. -D. ^{[3
]}

Gerhards, M. ^{[1
,2
]}

机构：

[1] TU Kaiserslautern, Fachbereich Chem, D-67663 Kaiserslautern, Germany

[2] Univ Dusseldorf, Inst Phys Chem 1, D-40225 Dusseldorf, Germany

[3] Univ Dusseldorf, Inst Organ Chem 1, D-40225 Dusseldorf, Germany

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2009年 / 11卷 / 08期

关键词：

ELECTRONIC-STRUCTURE CALCULATIONS; SOLVENT POLARIZATION DYNAMICS; DOUBLE-RESONANCE SPECTROSCOPY; JET-COOLED; 3-HYDROXYFLAVONE; OH STRETCHING VIBRATIONS; SHEET MODEL SYSTEM; FLUORESCENCE-EXCITATION; SHPOLSKII-SPECTROSCOPY; SUPERSONIC BEAM; GAS-PHASE;

D O I：

10.1039/b813425a

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：1173 / 1179

页数：7

共 56 条

[1] ELECTRONIC-STRUCTURE CALCULATIONS ON WORKSTATION COMPUTERS - THE PROGRAM SYSTEM TURBOMOLE [J].

AHLRICHS, R ;

BAR, M ;

HASER, M ;

HORN, H ;

KOLMEL, C .

CHEMICAL PHYSICS LETTERS, 1989, 162 (03) :165-169

[2] Ultrafast measurements of excited state intramolecular proton transfer (ESIPT) in room temperature solutions of 3-hydroxyflavone and derivatives [J].

Ameer-Beg, S ;

Ormson, SM ;

Brown, RG ;

Matousek, P ;

Towrie, M ;

Nibbering, ETJ ;

Foggi, P ;

Neuwahl, FVR .

JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (15) :3709-3718

[3]

[Anonymous], NIST CHEM WEBBOOK

[4] Excited state and ground state proton transfer rates of 3-hydroxyflavone and its derivatives studied by shpol'skii spectroscopy: The influence of redistribution of electron density [J].

Bader, AN ;

Pivovarenko, VG ;

Demchenko, AP ;

Ariese, F ;

Gooijer, C .

JOURNAL OF PHYSICAL CHEMISTRY B, 2004, 108 (29) :10589-10595

[5] Proton transfer in 3-hydroxyflavone studied by high-resolution 10 K laser-excited Shpol'skii spectroscopy [J].

Bader, AN ;

Ariese, F ;

Gooijer, C .

JOURNAL OF PHYSICAL CHEMISTRY A, 2002, 106 (12) :2844-2849

[6] IR/UV spectroscopy on jet cooled 3-hydroxyflavone (H2O)n (n=1,2) clusters along proton transfer coordinates in the electronic ground and excited states [J].

Bartl, K. ;

Funk, A. ;

Gerhards, M. .

JOURNAL OF CHEMICAL PHYSICS, 2008, 129 (23)

[7] Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory [J].

Bauernschmitt, R ;

Ahlrichs, R .

CHEMICAL PHYSICS LETTERS, 1996, 256 (4-5) :454-464

[8] PROTON-TRANSFER AND SOLVENT POLARIZATION DYNAMICS IN 3-HYDROXYFLAVONE [J].

BRUCKER, GA ;

SWINNEY, TC ;

KELLEY, DF .

JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (08) :3190-3195

[9] PROTON-TRANSFER IN MATRIX-ISOLATED 3-HYDROXYFLAVONE AND 3-HYDROXYFLAVONE COMPLEXES [J].

BRUCKER, GA ;

KELLEY, DF .

JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (11) :2856-2861

[10] ROLE OF PHENYL TORSION IN THE EXCITED-STATE DYNAMICS OF 3-HYDROXYFLAVONE [J].

BRUCKER, GA ;

KELLEY, DF .

JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (13) :3805-3809

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