Journal article
Photodissociation spectroscopy of Ca+(C2H4)
The Journal of chemical physics, Vol.112(15), pp.6583-6589
04/15/2000
DOI: 10.1063/1.481231
Abstract
We have studied Ca+(C2H4) by photodissociation spectroscopy in a reflectron time-of-flight mass spectrometer over the spectral range 440-790 nm. Ca+ is the only photofragment observed. We find four absorption bands of the complex and assign them to metal-centered transitions correlating with excitation of Ca+(3d and 4p). Spectral assignment is supported by ab initio electronic structure calculations of the complex and isotope substitution experiments. Calculations find a weakly bound ground state equilibrium structure with C-2V pi-bonding geometry and a dissociation energy of D-e"=0.506 eV. Theoretical and experimental results show the 4p pi(2 B-2(2) & 2 B-2(1)) excited states to be relatively weakly bound at long range. Spectral analysis gives vibrational constants for the Ca+--C2H4 intermolecular a(1)-stretch in the 1 (2)A(1), 2 B-2(1), and 2 B-2(2) states, and for the CH2-CH2 a(1)-wag and the HCH a(1)-bend in 2 B-2(2). The results offer an interesting comparison with previous studies of similar weakly bound bimolecular complexes of light metal ions with alkene or alkane hydrocarbons. (C) 2000 American Institute of Physics. [S0021-9606(00)00215-4].
Details
- Title: Subtitle
- Photodissociation spectroscopy of Ca+(C2H4)
- Creators
- J H HolmesP D KleiberD A OlsgaardK H Yang
- Resource Type
- Journal article
- Publication Details
- The Journal of chemical physics, Vol.112(15), pp.6583-6589
- Publisher
- Amer Inst Physics
- DOI
- 10.1063/1.481231
- ISSN
- 0021-9606
- eISSN
- 1089-7690
- Number of pages
- 7
- Language
- English
- Date published
- 04/15/2000
- Academic Unit
- Roy J. Carver Department of Biomedical Engineering; Radiology
- Record Identifier
- 9984294924102771
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