The Influence of the Molecular Dipole on the Electronic Structure of Isomeric Icosahedral Dicarbadodecaborane and Phosphacarbadodecaborane Molecular Films

• Published in: The journal of physical chemistry. B Vol. 111; no. 25; pp. 7009 - 7016
• Main Authors: Balaz, Snjezana, Caruso, A. N, Platt, N. P, Dimov, D. I, Boag, N. M, Brand, J. I, Losovyj, Ya. B, Dowben, P. A
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 28-06-2007
• ISSN: 1520-6106; 1520-5207
• DOI: 10.1021/jp0703760

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.