<?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%">Tsai, P.-Y.</style></author><author><style face="normal" font="default" size="100%">Hung, K.-C.</style></author><author><style face="normal" font="default" size="100%">Li, H.-K.</style></author><author><style face="normal" font="default" size="100%">Lin, K.-C.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Photodissociation of propionaldehyde at 248 nm: Roaming pathway as an increasingly important role in large aliphatic aldehydes</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Physical Chemistry Letters</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Aldehydes</style></keyword><keyword><style  face="normal" font="default" size="100%">Chemical reactions</style></keyword><keyword><style  face="normal" font="default" size="100%">Emission spectroscopy</style></keyword><keyword><style  face="normal" font="default" size="100%">Fourier transform infrared spectroscopy</style></keyword><keyword><style  face="normal" font="default" size="100%">FTIR</style></keyword><keyword><style  face="normal" font="default" size="100%">High-resolution spectra</style></keyword><keyword><style  face="normal" font="default" size="100%">Photodissociation</style></keyword><keyword><style  face="normal" font="default" size="100%">Photolysis</style></keyword><keyword><style  face="normal" font="default" size="100%">Propionaldehyde</style></keyword><keyword><style  face="normal" font="default" size="100%">Quasi-classical-trajectory calculations</style></keyword><keyword><style  face="normal" font="default" size="100%">Quasiclassical trajectories</style></keyword><keyword><style  face="normal" font="default" size="100%">Rate constants</style></keyword><keyword><style  face="normal" font="default" size="100%">roaming</style></keyword><keyword><style  face="normal" font="default" size="100%">Rotational distributions</style></keyword><keyword><style  face="normal" font="default" size="100%">Time-resolved Fourier transform infrared</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2014</style></year></dates><urls><web-urls><url><style face="normal" font="default" size="100%">https://www.scopus.com/inward/record.uri?eid=2-s2.0-84891784599&amp;doi=10.1021%2fjz402329g&amp;partnerID=40&amp;md5=4e39a3eaef20c83fcf53207426a6b3f5</style></url></web-urls></urls><number><style face="normal" font="default" size="100%">1</style></number><volume><style face="normal" font="default" size="100%">5</style></volume><pages><style face="normal" font="default" size="100%">190-195</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Time-resolved Fourier transform infrared emission spectroscopy is employed in the photolysis of propionaldehyde (CH3CH2CHO) at 248 nm to characterize the role of the roaming pathway. High-resolution spectra of CO are analyzed to yield a single Boltzmann rotational distribution for each vibrational level (ν = 1-4) with small rotational and large vibrational energy disposals. A roaming saddle point is found containing two far separated moieties of HCO and CH3CH2 with a weak interaction between them. Quasiclassical trajectory calculations on this configuration yield the CO energy flow behavior, consistent with the findings. The rate constant along the roaming pathway is evaluated to be larger by &amp;gt;1-2 orders of magnitude than those along tight transition state or three-body dissociation pathways. This work implies that the roaming mechanism plays an increasingly important role in aliphatic aldehydes as the molecular size becomes larger. © 2013 American Chemical Society.&lt;/p&gt;
</style></abstract><notes><style face="normal" font="default" size="100%">&lt;p&gt;cited By 21&lt;/p&gt;
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