Decomposition Kinetics of Nitroglycerine路Cl鈥?/sup>(g) in Air at Ambient Pressure with a Tandem Ion Mobility Spectrometer
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- 作者：Maneeshin Y. Rajapakse ; John A. Stone ; Gary A. Eiceman
- 刊名：Journal of Physical Chemistry A
- 出版年：2014
- 出版时间：April 17, 2014
- 年：2014
- 卷：118
- 期：15
- 页码：2683-2692
- 全文大小：447K
- 年卷期：v.118,no.15(April 17, 2014)
- ISSN：1520-5215
文摘
A dual-shutter ion mobility spectrometer operating at atmospheric pressure and interfaced to a gas chromatograph for sample introduction has been used to study the reaction of Cl鈥?/sup> with explosives. Of particular interest was an investigation of the formation of NO3鈥?/sup> from the reaction of the Cl鈥?/sup> with nitroglycerin (NG). The adduct NG路Cl鈥?/sup> together with NO3鈥?/sup> and NG路NO3鈥?/sup> compose the mobility spectrum. Over the temperature range 111 to 122 掳C, NG路NO3鈥?/sup> is stable, but NG路Cl鈥?/sup> decomposes to NO3鈥?/sup> and 1,2-dinitro-3-chloropropane (DNClP). The activation energy and pre-exponential factor for this first order decomposition are 80 卤 3 kJ mol鈥? and 1.3 脳 1012 s鈥?, respectively. Ab initio calculation shows that the reaction is a substitution reaction occurring over a two well potential energy profile with stable ion鈥搈olecule complexes NG路Cl鈥?/sup> and DNClP路NO3鈥?/sup>.