Article
The hydrolysis of surface-bound basic tin-amide moieties with acidic protons of alkynyl chromophores leads to molecular self-assembly of a variety of rigid-rod alkynes on inorganic oxide surfaces such as glass, quartz, and single crystal silicon. Characterization of these newly developed thin films was achieved by contact-angle goniometry, FTIR-ATR, ellipsometry, and X-ray photoelectron spectroscopy, which indicate that these thin films are densely packed. Comparative molecular mechanics modeling studies on unbound and chemisorbed -Sn-Ctriple bondC-H monomer, dimer, trimer, and a 12 × 12 (144 molecule) model substrate, suggest that surface anchoring of Sn-alkynyl units is essential for highly ordered thin-film structures that can effect topochemical polymerization. Preliminary MO calculations on a 4 × 4 model show conjugated molecular orbitals through the system.Key words: molecular self-assembly, rigid-rod alkynes, acid-base hydrolysis, tin-alkynyl thin films, molecular mechanics modeling studies, topochemical polymerization, molecular orbitals.