Comparative Studies of Methanol and Methathiol Decomposition Reactivity on Metal Surfaces

Abstract

Abstract: The reactivities of methanol and methathiol on Ni(111), Pt(111) and Cu(111) have been investigated using bond order conservation-Morse potential(BOC-MP) method. The results show that, from Ni to Pt to Cu, the relative cleavage probabilities of C-S bond in methathiol decrease, and those of S-H bond increase, and thus on Cu surface only the S-H bond break occurs. Methanol on Ni surface is dissociated easily into CH₃- and CH₃O-, but the dissociation on Pt and Cu surface is not easy. From Ni to Pt to Cu, the cleavage selectivity of C-S bond in CH₃S— and C-H bond in CH₃O— increases. The dissociation barriers of CH₃XH and CH₃X—(X=O, S) increase in the order Ni<Pt<Cu. The final product of CH₃OH dissociation is CO on Ni surface, and H₂CO on Cu surface.

Key words: Methanol, Methathiol, Dissociation, Metal surface, Bond-order conservation

CLC Number:

O641

TrendMD:

XIA Wen-Sheng, WANG Hai-You, WAN Hui-Lin, ZHANG Qian-Er. Comparative Studies of Methanol and Methathiol Decomposition Reactivity on Metal Surfaces[J]. Chem. J. Chinese Universities, 1998, 19(3): 438.

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Comparative Studies of Methanol and Methathiol Decomposition Reactivity on Metal Surfaces

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