Molecular ordering in isonicotinic acid on rutile TiO2(110) investigated with valence band photoemission

The adsorption of isonicotinic acid on rutile TiO(2)(110) has been investigated using synchrotron-based valence band photoemission. Structural ordering in multilayer films of the molecules is found to give rise to a strong angular dependence in the valence band intensities when measured using linear...

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Bibliographic Details
Published in:The Journal of chemical physics 2004-11, Vol.121 (20), p.10203-10208
Main Authors: O'Shea, James N, Swarbrick, Janine C, Nilson, Katharina, Puglia, Carla, Brena, Barbara, Luo, Yi, Dhanak, Vin R
Format: Article
Language:English
Subjects:
adsorption
charge-transfer
Chemistry
core-level shift
Kemi
NATURAL SCIENCES
NATURVETENSKAP
surface
systems
Teoretisk kemi
Theoretical chemistry
tio2
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Summary:The adsorption of isonicotinic acid on rutile TiO(2)(110) has been investigated using synchrotron-based valence band photoemission. Structural ordering in multilayer films of the molecules is found to give rise to a strong angular dependence in the valence band intensities when measured using linearly polarized radiation. Molecular ordering in this case is proposed to be induced by intermolecular hydrogen bonding which is found to be highly dependent upon the deposition rate of the isonicotinic acid. Through comparison of the experimental data with density functional calculated valence band spectra of hydrogen-bonded isonicotinic acid molecules, we can account for the angular dependence in terms of the spatial distribution of the molecular orbitals.
ISSN:0021-9606
1089-7690
1089-7690
DOI:10.1063/1.1802292