<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="6.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Fan, H.</style></author><author><style face="normal" font="default" size="100%">Tsai, P.-Y.</style></author><author><style face="normal" font="default" size="100%">Lin, K.-C.</style></author><author><style face="normal" font="default" size="100%">Lin, C.-W.</style></author><author><style face="normal" font="default" size="100%">Yan, C.-Y.</style></author><author><style face="normal" font="default" size="100%">Yang, S.-W.</style></author><author><style face="normal" font="default" size="100%">A.H.H. Chang</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Molecular elimination of Br2 in photodissociation of CH 2BrC(O)Br at 248 nm using cavity ring-down absorption spectroscopy</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Chemical Physics</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Ab initio</style></keyword><keyword><style  face="normal" font="default" size="100%">Boltzmann</style></keyword><keyword><style  face="normal" font="default" size="100%">Branching ratio</style></keyword><keyword><style  face="normal" font="default" size="100%">Bromine</style></keyword><keyword><style  face="normal" font="default" size="100%">Bromine compounds</style></keyword><keyword><style  face="normal" font="default" size="100%">CALCULATIONS</style></keyword><keyword><style  face="normal" font="default" size="100%">Cavity ring-down</style></keyword><keyword><style  face="normal" font="default" size="100%">Chemical reactions</style></keyword><keyword><style  face="normal" font="default" size="100%">Electronic ground state</style></keyword><keyword><style  face="normal" font="default" size="100%">Elimination reaction</style></keyword><keyword><style  face="normal" font="default" size="100%">Energy calculation</style></keyword><keyword><style  face="normal" font="default" size="100%">Ground state</style></keyword><keyword><style  face="normal" font="default" size="100%">Internal conversions</style></keyword><keyword><style  face="normal" font="default" size="100%">Molecular elimination</style></keyword><keyword><style  face="normal" font="default" size="100%">MOLECULES</style></keyword><keyword><style  face="normal" font="default" size="100%">Quantum yield</style></keyword><keyword><style  face="normal" font="default" size="100%">Rice-ramsperger-kassel-marcus</style></keyword><keyword><style  face="normal" font="default" size="100%">Spectral simulations</style></keyword><keyword><style  face="normal" font="default" size="100%">Temperature dependence</style></keyword><keyword><style  face="normal" font="default" size="100%">Vibrational population</style></keyword><keyword><style  face="normal" font="default" size="100%">Vibrational temperature</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2012</style></year></dates><urls><web-urls><url><style face="normal" font="default" size="100%">https://www.scopus.com/inward/record.uri?eid=2-s2.0-84870884930&amp;doi=10.1063%2f1.4767346&amp;partnerID=40&amp;md5=54a7aeece77aa2edd7830b83113f7a58</style></url></web-urls></urls><number><style face="normal" font="default" size="100%">21</style></number><volume><style face="normal" font="default" size="100%">137</style></volume><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;The primary elimination channel of bromine molecule in one-photon dissociation of CH2BrC(O)Br at 248 nm is investigated using cavity ring-down absorption spectroscopy. By means of spectral simulation, the ratio of nascent vibrational population in v 0, 1, and 2 levels is evaluated to be 1:(0.5 ± 0.1):(0.2 ± 0.1), corresponding to a Boltzmann vibrational temperature of 581 ± 45 K. The quantum yield of the ground state Br2 elimination reaction is determined to be 0.24 ± 0.08. With the aid of ab initio potential energy calculations, the obtained Br2 fragments are anticipated to dissociate on the electronic ground state, yielding vibrationally hot Br2 products. The temperature-dependence measurements support the proposed pathway via internal conversion. For comparison, the Br2 yields are obtained analogously from CH3CHBrC(O)Br and (CH3)2CBrC(O)Br to be 0.03 and 0.06, respectively. The trend of Br2 yields among the three compounds is consistent with the branching ratio evaluation by Rice-Ramsperger-Kassel-Marcus method. However, the latter result for each molecule is smaller by an order of magnitude than the yield findings. A non-statistical pathway so-called roaming process might be an alternative to the Br2 production, and its contribution might account for the underestimate of the branching ratio calculations. © 2012 American Institute of Physics.&lt;/p&gt;
</style></abstract><notes><style face="normal" font="default" size="100%">&lt;p&gt;cited By 3&lt;/p&gt;
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