Kinetics of the Reaction Al + SF_6 in the Temperature Range 499-813 K

James K. Parker; Nancy L. Garland; H. H. Nelson

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Kinetics of the Reaction Al + SF_6 in the Temperature Range 499-813 K

机译：Al + SF_6在499-813 K温度范围内的反应动力学

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Rate constants as a function of temperature for the reaction Al + SF_6 have been measured under pseudo-first-order conditions. Laser-induced fluorescence was used to monitor the relative concentrations of either the reactant Al or the primary product AlF. The measured rate constants are described by the expression k(T) = (6.8 ± 2.2) * 10~(-10) exp(-(4780 ± 200 K)/T) cm~3 molecule~(-1)s~(-1) over the range 499-813 K. Ab initio and density functional calculations at the MP2(FC) and BH&HLYP levels have been used to model the potential energy surface for this reaction. Calculated rate constants are in good agreement with experimental observations.

机译：已经在拟一级条件下测量了反应Al + SF_6的速率常数与温度的关系。激光诱导的荧光用于监测反应物Al或初级产物AlF的相对浓度。测得的速率常数由表达式k（T）=（6.8±2.2）* 10〜（-10）exp（-（4780±200 K）/ T）cm〜3分子〜（-1）s〜（ -1）的范围为499-813K。已使用在MP2（FC）和BH＆HLYP级别进行的从头算和密度泛函计算来为该反应的势能面建模。计算的速率常数与实验观察结果非常吻合。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2002年第2期|共5页
作者
James K. Parker; Nancy L. Garland; H. H. Nelson;
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中图分类物理化学（理论化学）、化学物理学;
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1. Kinetics of the Reaction Al + SF_6 in the Temperature Range 499-813 K [J] . James K. Parker, Nancy L. Garland, H. H. Nelson The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2002,第2期

机译：Al + SF_6在499-813 K温度范围内的反应动力学
2. Kinetics and Dynamics of Multi-Channel Unimolecular Reactions of Alkoxyl Radicals Over an Extended Range of Temperature and Pressure.A Combined Quantum Chemical/RRKM Dynamical Study [J] . Holger Somnitz, Reinhard Zellner Zeitschrift fur Physikalische Chemie: International Journal of Research in Physical Chemistry and Chemical Physics . 2006,第8期

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Kinetics of the Reaction Al + SF_6 in the Temperature Range 499-813 K

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