Surface Chemistry of 2-Propanol on TiO2(110): Low and High Temperature Dehydration, Isotope Effects, and Influence of Local Surface Structure

Journal Article · Thu Jul 26 04:00:00 EDT 2007 · Journal of Physical Chemistry C, 111(29):1105-11067

DOI:https://doi.org/10.1021/jp072298m· OSTI ID:917213

Bondarchuk, Olexsandr; Kim, Yu Kwon; White, J M; Kim, Jooho; Kay, Bruce D; Dohnalek, Zdenek

Dosed on rutile TiO2(110) at 100 K, the thermal chemistry of 2-propanol in three forms—C3H7OH, C3D7OD and C3H7OD—was characterized using temperature programmed desorption. Only 2-propanol, propene and water desorb with no evidence for acetone. The propene forms and desorbs by two paths, a heretofore unreported low temperature path extending from 300 to 450 K and, concerning with prior work, a high temperature path peaking between 565 and 575 K. Both paths exhibit isotope effects. The high temperature path is interpreted in terms of decomposition of 2-propoxy species located on bridging oxygen atom rows. The low temperature path is attributed to 2-propanol dehydration on under-coordinated Ti4+ ions of the Ti4+ rows. The low temperature path characteristics vary with the long range order and bridge-bonded oxygen atom vacancy concentration.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 917213
• Report Number(s): PNNL-SA-54619; 22091; KC0302010
• Journal Information: Journal of Physical Chemistry C, 111(29):1105-11067, Journal Name: Journal of Physical Chemistry C, 111(29):1105-11067 Journal Issue: 29 Vol. 111
• Country of Publication: United States
• Language: English

Related Subjects

10 SYNTHETIC FUELS
DEHYDRATION
DEUTERIUM COMPOUNDS
Environmental Molecular Sciences Laboratory
ISOTOPE EFFECTS
MORPHOLOGY
PROPANOLS
PROPYLENE
SURFACE PROPERTIES
TITANIUM OXIDES
TiO2(110)
alcohol dehydration
propanol
temperature programmed desorption