کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5373740 | 1504234 | 2014 | 10 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Resonance enhanced multiphoton ionization time-of-flight (REMPI-TOF) study of tetrachloroethylene photodissociation at 235Â nm: Role of bound Ï-ÏC-Clâ state
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
In one-color REMPI-TOF experiment, the photodissociation dynamics of tetrachloroethylene has been studied by probing the chlorine atom photofragments, namely, Cl (2P3/2) and Clâ (2P1/2), using 2 + 1 REMPI scheme in the 234-236 nm region. We have determined the centre-of-mass photofragment speed distribution, recoil anisotropy parameter (β), and the spin-orbit branching ratio for chlorine atom elimination channels. The β is well characterized by a value of â¼0.0, within the experimental uncertainties. Two components, namely, the fast and the slow, are observed in the translational energy distributions of Cl and Clâ. The average translational energies for the Cl and Clâ channels for the fast components are 17.6 ± 1.9 and 14.0 ± 1.7 kcal/mol, while, that for the slow components are 2.2 ± 1.0 and 3.2 ± 1.0 kcal/mol, respectively. To understand the nature of the dissociative potential energy surface involved in the chlorine atom formation channel, detailed theoretical calculations are performed using Time-dependent Density Functional Theory (TD-DFT) method.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 428, 15 January 2014, Pages 127-136
Journal: Chemical Physics - Volume 428, 15 January 2014, Pages 127-136
نویسندگان
Ankur Saha, Hari P. Upadhyaya, Awadhesh Kumar, Prakash D. Naik,