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

[11] On the intramolecular proton transfer of 3-hydroxyflavone in the first singlet excited state:: A theoretical study [J].

Casadesus, Ricard ;

Vendrell, Oriol ;

Moreno, Miquel ;

Lluch, Jose M. ;

Morokuma, Keiji .

CHEMICAL PHYSICS, 2006, 325 (02) :243-250

[12]

Catalán J, 1999, INT J QUANTUM CHEM, V72, P421, DOI 10.1002/(SICI)1097-461X(1999)72:4<421::AID-QUA26>3.0.CO

[13]

2-3

[14] Towards a photophysical model for 5-hydroxyflavone [J].

del Valle, JC .

JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (10)

[15] AM1 AND INDO/S CALCULATIONS ON ELECTRONIC SINGLET AND TRIPLET-STATES INVOLVED IN EXCITED-STATE INTRAMOLECULAR PROTON-TRANSFER OF 3-HYDROXYFLAVONE [J].

DICK, B .

JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (15) :5752-5756

[16] EXCITED-STATE INTRAMOLECULAR PROTON-TRANSFER IN 3-HYDROXYFLAVONE ISOLATED IN SOLID ARGON - FLUORESCENCE AND FLUORESCENCE-EXCITATION SPECTRA AND TAUTOMER FLUORESCENCE RISE TIME [J].

DICK, B ;

ERNSTING, NP .

JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (16) :4261-4265

[17] OH stretching vibrations of phenol-(H2O)(1) and phenol-(H2O)(3) in the S-1 state [J].

Ebata, T ;

Mizuochi, N ;

Watanabe, T ;

Mikami, N .

JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (02) :546-550

[18] FLUORESCENCE EXCITATION OF ISOLATED, JET-COOLED 3-HYDROXYFLAVONE - THE RATE OF EXCITED-STATE INTRAMOLECULAR PROTON-TRANSFER FROM HOMOGENEOUS LINEWIDTHS [J].

ERNSTING, NP ;

DICK, B .

CHEMICAL PHYSICS, 1989, 136 (02) :181-186

[19] A theoretical study of excited state proton transfer in 3-hydroxychromone and related molecules [J].

Estiú, G ;

Rama, J ;

Pereira, A ;

Cachau, RE ;

Ventura, ON .

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999, 487 (03) :221-230

[20] Interplay between intra- and intermolecular excited-state single- and double-proton-transfer processes in the biaxially symmetric molecule 3,7-dihydroxy-4H,6H-pyrano[3,2-g]-chromene-4,6-dione [J].

Falkovskaia, E ;

Pivovarenko, VG ;

del Valle, JC .

JOURNAL OF PHYSICAL CHEMISTRY A, 2003, 107 (18) :3316-3325

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