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

• The adsorption of isonicotinic acid on rutile TiO2(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.

Subject headings

NATURVETENSKAP  -- Kemi -- Teoretisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)

Keyword

core-level shift

charge-transfer

surface

adsorption

systems

tio2

Theoretical chemistry

Teoretisk kemi

Publication and Content Type

ref (subject category)

art (subject category)