2-methyl furan: An experimental study of the excited electronic levels by electron energy loss spectroscopy, vacuum ultraviolet photoabsorption, and photoelectron spectroscopy

被引:24
作者
Giuliani, A
Delwiche, J
Hoffmann, SV
Limao-Vieira, P
Mason, NJ
Hubin-Franskin, MJ
机构
[1] Univ Liege, Inst Chim, Lab Spect Elect Diffuses, B-4000 Liege, Belgium
[2] Aarhus Univ, Inst Storage Ring Facil, DK-8000 Aarhus C, Denmark
[3] UCL, Dept Phys & Astron, London WC1E 6BT, England
[4] Univ Nova Lisboa, FCT, Dept Fis, P-2829516 Caparica, Portugal
[5] IST, Ctr Fis Mol, P-1049001 Lisbon, Portugal
关键词
D O I
10.1063/1.1590960
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
The vacuum ultraviolet absorption spectrum of 2-methyl furan has been recorded between 5 eV (248 nm) and 9.91 eV (125 nm) and absolute photoabsorption cross sections measured. The electronic excited states of the molecule have also been probed using high resolution electron energy loss spectroscopy. Recorded under electric-dipole conditions, it has confirmed the magnitude of the photoabsorption cross section values and extended the optical oscillator strength values up to 12 eV. Measurements at several scattering angles have allowed the angular behavior of differential cross section ratios for some features in the 5-7.1 eV region to be measured, which in turn have helped in the assignments of electronic states to observed absorption bands. A high-resolution photoelectron spectrum was measured and allowed the two lowest ionization energies to be determined, these have been used in the identification of the related Rydberg states. Vibrational fine structure in the photoelectron spectrum has also been analyzed. The spectrum is dominated by intense pi-pi(*) transitions. Rydberg series associated with the first and second ionization energies have been identified. The effects of symmetry reduction induced on the furan ring by the methyl substitution are also discussed. (C) 2003 American Institute of Physics.
引用
收藏
页码:3670 / 3680
页数:11
相关论文
共 47 条
[1]   THE METHYLBENZENES VIS-A-VIS BENZENE - COMPARISON OF THEIR SPECTRA IN THE RYDBERG SERIES REGION [J].
BOLOVINOS, A ;
PHILIS, J ;
PANTOS, E ;
TSEKERIS, P ;
ANDRITSOPOULOS, G .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (09) :4343-4349
[2]   Study of excited states of furan and pyrrole by time-dependent density functional theory [J].
Burcl, R ;
Amos, RD ;
Handy, NC .
CHEMICAL PHYSICS LETTERS, 2002, 355 (1-2) :8-18
[3]   SINDO1 STUDY OF THE PHOTOISOMERIZATION OF 2-METHYLFURAN TO 3-METHYLFURAN [J].
BUSS, S ;
JUG, K .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (04) :1044-1050
[4]   Characterization of nucleoside adducts of cis-2-butene-1,4-dial, a reactive metabolite of furan [J].
Byrns, MC ;
Predecki, DP ;
Peterson, LA .
CHEMICAL RESEARCH IN TOXICOLOGY, 2002, 15 (03) :373-379
[5]   Emission characteristics of VOCs from athletic tracks [J].
Chang, FH ;
Lin, TC ;
Huang, CI ;
Chao, HR ;
Chang, TY ;
Lu, CS .
JOURNAL OF HAZARDOUS MATERIALS, 1999, 70 (1-2) :1-20
[6]   The electronic spectrum of furan [J].
Christiansen, O ;
Jorgensen, P .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (14) :3423-3430
[7]   RESONANTLY ENHANCED MULTI-PHOTON IONIZATION OF PYRROLE, N-METHYL PYRROLE, AND FURAN [J].
COOPER, CD ;
WILLIAMSON, AD ;
MILLER, JC ;
COMPTON, RN .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (04) :1527-1537
[8]   Biotransformation reactions of five-membered aromatic heterocyclic rings [J].
Dalvie, DK ;
Kalgutkar, AS ;
Khojasteh-Bakht, SC ;
Obach, RS ;
O'Donnell, JP .
CHEMICAL RESEARCH IN TOXICOLOGY, 2002, 15 (03) :269-299
[9]  
Delwiche J., 1973, Journal of Electron Spectroscopy and Related Phenomena, V1, P219, DOI 10.1016/0368-2048(72)85012-6
[10]  
DERRICK PJ, 1969, INT J MASS SPECTROM, V2, P471