STRUCTURAL-ANALYSIS OF CARBYNE NETWORK POLYMERS

Quantum mechanical (semiempirical) and force field calculations of oli gomers of recently reported polycarbyne network backbone polymers indi cate that calculated bond lengths between adjacent carbon backbone ato ms are elongated relative to the bond distance of a C-C single bond. S ome degree of bond cleavage is theorized to occur between adjacent car bon atoms of the polymers' network backbones, resulting in the formati on of biradicals. This theory is supported experimentally by the polym ers' electronic absorption spectra, their degrees of polymerization, a nd their ESR spectra, which show a decreasing signal as the steric bul k between adjacent carbons is decreased.