Reactions of maleic anhydride over TiO2 (001) single crystal surfaces

J N Wilson, D J Titheridge, L Kieu, Hicham Idriss

Research output: Contribution to journalArticle

29 Citations (Scopus)

Abstract

The reactions of maleic anhydride (MA) have been investigated on the "near" stoichiometric and substoichiometric surfaces of TiO2 by temperature programmed desorption (TPD). Moreover, self-consistent field semiempirical PM3 calculations of MA over relaxed and unrelaxed Ti13O45H38 rutile clusters [simulating the rutile TiO2(011) surface] were conducted on two modes of adsorption. The dissociation of one C-O-C bond following adsorption on a Ti-5c(4+) - O2- Site results in a more stable adsorbed species (by 0.5 eV) than the nondissociatively adsorbed molecule. Desorption of a wide range of products in several temperature domains was observed during MA-TPD. In addition to the decomposition pathway to carbon monoxide (CO), carbon dioxide (CO2), acetylene (HC = CH), and ketene (H2C = C = O), the desorption of several coupling products is also seen: vinylacetylene (HC = CCH = CH2), butene, traces of butadiene (H2C = CHCH= CH2), and benzene (C6H6). Over the substoichiometric surfaces these coupling products are more accentuated while the decomposition pathway to ketene decreased. (C) 2000 American Vacuum Society. [S0734-2101(00)17404-4].

Original languageEnglish
Pages (from-to)1887-1892
Number of pages6
JournalJournal of Vacuum Science & Technology. A, Vacuum, Surfaces, and Films
Volume18
Issue number4
Publication statusPublished - 2000

Keywords

  • REDUCED TIO2(001) SURFACES
  • N-BUTANE OXIDATION
  • VANADYL PYROPHOSPHATE
  • BOND FORMATION
  • OXIDE
  • ADSORPTION
  • TIO2(110)
  • CYCLOTRIMERIZATION
  • CHEMISORPTION
  • ACETALDEHYDE

Cite this

Reactions of maleic anhydride over TiO2 (001) single crystal surfaces. / Wilson, J N ; Titheridge, D J ; Kieu, L ; Idriss, Hicham.

In: Journal of Vacuum Science & Technology. A, Vacuum, Surfaces, and Films, Vol. 18, No. 4, 2000, p. 1887-1892.

Research output: Contribution to journalArticle

Wilson, J N ; Titheridge, D J ; Kieu, L ; Idriss, Hicham. / Reactions of maleic anhydride over TiO2 (001) single crystal surfaces. In: Journal of Vacuum Science & Technology. A, Vacuum, Surfaces, and Films. 2000 ; Vol. 18, No. 4. pp. 1887-1892.
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N2 - The reactions of maleic anhydride (MA) have been investigated on the "near" stoichiometric and substoichiometric surfaces of TiO2 by temperature programmed desorption (TPD). Moreover, self-consistent field semiempirical PM3 calculations of MA over relaxed and unrelaxed Ti13O45H38 rutile clusters [simulating the rutile TiO2(011) surface] were conducted on two modes of adsorption. The dissociation of one C-O-C bond following adsorption on a Ti-5c(4+) - O2- Site results in a more stable adsorbed species (by 0.5 eV) than the nondissociatively adsorbed molecule. Desorption of a wide range of products in several temperature domains was observed during MA-TPD. In addition to the decomposition pathway to carbon monoxide (CO), carbon dioxide (CO2), acetylene (HC = CH), and ketene (H2C = C = O), the desorption of several coupling products is also seen: vinylacetylene (HC = CCH = CH2), butene, traces of butadiene (H2C = CHCH= CH2), and benzene (C6H6). Over the substoichiometric surfaces these coupling products are more accentuated while the decomposition pathway to ketene decreased. (C) 2000 American Vacuum Society. [S0734-2101(00)17404-4].

AB - The reactions of maleic anhydride (MA) have been investigated on the "near" stoichiometric and substoichiometric surfaces of TiO2 by temperature programmed desorption (TPD). Moreover, self-consistent field semiempirical PM3 calculations of MA over relaxed and unrelaxed Ti13O45H38 rutile clusters [simulating the rutile TiO2(011) surface] were conducted on two modes of adsorption. The dissociation of one C-O-C bond following adsorption on a Ti-5c(4+) - O2- Site results in a more stable adsorbed species (by 0.5 eV) than the nondissociatively adsorbed molecule. Desorption of a wide range of products in several temperature domains was observed during MA-TPD. In addition to the decomposition pathway to carbon monoxide (CO), carbon dioxide (CO2), acetylene (HC = CH), and ketene (H2C = C = O), the desorption of several coupling products is also seen: vinylacetylene (HC = CCH = CH2), butene, traces of butadiene (H2C = CHCH= CH2), and benzene (C6H6). Over the substoichiometric surfaces these coupling products are more accentuated while the decomposition pathway to ketene decreased. (C) 2000 American Vacuum Society. [S0734-2101(00)17404-4].

KW - REDUCED TIO2(001) SURFACES

KW - N-BUTANE OXIDATION

KW - VANADYL PYROPHOSPHATE

KW - BOND FORMATION

KW - OXIDE

KW - ADSORPTION

KW - TIO2(110)

KW - CYCLOTRIMERIZATION

KW - CHEMISORPTION

KW - ACETALDEHYDE

M3 - Article

VL - 18

SP - 1887

EP - 1892

JO - Journal of Vacuum Science & Technology. A, Vacuum, Surfaces, and Films

JF - Journal of Vacuum Science & Technology. A, Vacuum, Surfaces, and Films

SN - 0734-2101

IS - 4

ER -