BINDING-ENERGIES OF CO+.(H2/CH4/C2H6)1,2,3 CLUSTERS

被引:83
作者
KEMPER, PR
BUSHNELL, J
VANKOPPEN, P
BOWERS, MT
机构
[1] Department of Chemistry, University of California, Santa Barbara
关键词
D O I
10.1021/j100111a016
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
Using temperature dependent equilibria, binding energies for Co+.CH4 and Co+.C2H6 were measured to be 22.9 +/- 0.7 and 28.0 +/- 1.6 kcal/mol, respectively. Dissociation energies for loss of Y from Co+.X-Y (X = H-2, CH4, C2H6, and H2O, and Y = H-2, CH4, and C2H6) were also measured. Dissociation energies for loss of CH4 or C2H6 from the three ligand species Co+.(CH4)3 and Co+.(C2H6)3 were estimated. The binding energy of a given ligand is affected by the presence of other ligands through both Co+ 3d-4s electron hybridization and ligand-ligand interference. The present results agree well with the recent high level theoretical calculations of Perry, Ohanessian, and Goddard. Finally, entropies for most of the above reactions were also measured.
引用
收藏
页码:1810 / 1817
页数:8
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