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

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-carbadodecabora...

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Published in:The journal of physical chemistry. B 2007-06, Vol.111 (25), p.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
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Language:English
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cited_by cdi_FETCH-LOGICAL-a417t-1df78f352e06740ee3f048643fd0bc4c526a74476ddf66a5c7003a4b87dd4913
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container_end_page 7016
container_issue 25
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container_title The journal of physical chemistry. B
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creator Balaz, Snjezana
Caruso, A. N
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Dimov, D. I
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Dowben, P. A
description 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.
doi_str_mv 10.1021/jp0703760
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title The Influence of the Molecular Dipole on the Electronic Structure of Isomeric Icosahedral Dicarbadodecaborane and Phosphacarbadodecaborane Molecular Films
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