Dynamics of the photodissociation of ethyl iodide from the origin of the B band. A slice imaging study

被引:6
|
作者
Poullain, Sonia Marggi [1 ]
Recio, Pedro [2 ,4 ]
Chicharro, David, V [2 ]
Rubio-Lago, Luis [2 ]
Gonzalez-Vazquez, Jesus [1 ,3 ]
Banares, Luis [2 ]
机构
[1] Univ Autonoma Madrid, Fac Ciencias, Dept Quim, Modulo 13, E-28049 Madrid, Spain
[2] Univ Complutense Madrid, Fac Ciencias Quim, Dept Quim Fis, E-28040 Madrid, Spain
[3] Univ Autonoma Madrid, Fac Ciencias, Inst Adv Res Chem Sci IAdChem, E-28049 Madrid, Spain
[4] Univ Perugia, Dipartimento Chim Biol & Biotecnol, I-06123 Perugia, Italy
关键词
METHYL-IODIDE; SPECTRA; STEREODYNAMICS; DISSOCIATION; IONIZATION; MOLECULES; RADICALS; RYDBERG; CH3I;
D O I
10.1039/c8cp06482b
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 photodissociation dynamics and stereodynamics of ethyl iodide from the origin of the second absorption B-band have been investigated combining pulsed slicFe imaging with resonance enhanced multiphoton ionization (REMPI) detection of all fragments, I(P-2(3/2)), I*(P-2(1/2)) and C2H5. The I*(P-2(1/2)) atom action spectrum recorded as a function of the excitation wavelength permits one to identify and select the 000 origin of this band at 201.19 nm (49 704 cm(-1)). Translational energy distributions and angular distributions for all fragments and semiclassical Dixon's bipolar moments for the C2H5 fragment are presented and discussed along with high-level ab initio calculations of potential energy curves as a function of the C-I distance. A predissociative mechanism governs the dynamics where in a first step a bound Rydberg state corresponding to the 5p pi(I) -> 6s(I) transition is populated by the 201.19 nm-photon absorption. A curve crossing with a repulsive state located within the Franck-Condon geometry leads to direct dissociation into the major channel C2H5 + I*(P-2(1/2)). A small amount of I(P-2(3/2)) atoms is nevertheless observed and presumably attributed to a second curve crossing with a repulsive state from the A-band.
引用
收藏
页码:14250 / 14260
页数:11
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