The influence of the molecular dipole on the electronic structure of isomeric icosahedral dicarbadodecaborane and phosphacarbadodecaborane molecular films

Snjezana Balaz; A N Caruso; N P Platt; D I Dimov; N M Boag; J I Brand; Ya B Losovyj; P A Dowben

doi:10.1021/jp0703760

The influence of the molecular dipole on the electronic structure of isomeric icosahedral dicarbadodecaborane and phosphacarbadodecaborane molecular films

J Phys Chem B. 2007 Jun 28;111(25):7009-16. doi: 10.1021/jp0703760. Epub 2007 Jun 1.

Authors

Snjezana Balaz¹, A N Caruso, N P Platt, D I Dimov, N M Boag, J I Brand, Ya B Losovyj, P A Dowben

Affiliation

¹ Department of Physics and Astronomy, Nebraska Center for Materials and Nanoscience, Behlen Laboratory of Physics, University of Nebraska, Lincoln, Nebraska 68588-011, USA.

PMID: 17539674
DOI: 10.1021/jp0703760

Abstract

We compare the molecular films of three different isomers of closo-dicarbadodecaborane (orthocarborane (1,2-C2B10H12), metacarborane (1,7-C2B10H12), paracarborane (1,12-C2B10H12)) and two related icosahedral cage molecules, 1-phospha-2-carbadodecaborane (1,2-PCB10H11) and 1-phospha-7-carbadodecaborane (1,7-PCB10H11) adsorbed on a variety of substrates. While the experimental electronic structure from combined photoemission and inverse photoemission studies of the molecular films are in good agreement with semiempirical calculations for the isolated molecule, there is a shift in the chemical potential for each molecule. The experimental position of the molecular chemical potential implicates an influence of both interface and adsorbate dipole.