Statistical modeling of competitive threshold collision-induced dissociation

被引:231
作者
Rodgers, MT [1 ]
Armentrout, PB
机构
[1] Wayne State Univ, Dept Chem, Detroit, MI 48202 USA
[2] Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA
关键词
D O I
10.1063/1.476754
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Collision-induced dissociation of (R1OH)Li+(R2OH) with xenon is studied using guided ion beam mass spectrometry. R1OH and R2OH include the following molecules: water, methanol, ethanol, 1-propanol, 2-propanol, and 1-butanol. In all cases, the primary products formed correspond to endothermic loss of one of the neutral alcohols, with minor products that include those formed by ligand exchange and loss of both ligands. The cross-section thresholds are interpreted to yield 0 and 298 K bond energies for (R1OH)Li+-R2OH and relative Li+ binding affinities of the R1OH and R2OH Ligands after accounting for the effects of multiple ion-molecule collisions, internal energy of the reactant ions, and dissociation lifetimes. We introduce a means to simultaneously analyze the cross sections for these competitive dissociations using statistical theories to predict the energy dependent branching ratio. Thermochemistry in good agreement;with previous work is obtained in all cases: In essence, this statistical approach provides, a detailed means of.correcting for the "competitive shift" inherent in multichannel processes. (C) 1998 American Institute of Physics.
引用
收藏
页码:1787 / 1800
页数:14
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