• Journal of the Korean Chemical Society
• /
• v.35 no.5
• /
• pp.461-468
• /
• 1991

The cationic polymerizations of substituted oxiranes which have pendant energetic groups such as azido, and nitrato, are investigated theoretically using the semiempirical MNDO, and $AM_1$ methods. The nucleophilicity and basicity of substituted oxiranes can be explained by the negative charge on oxygen atom of oxiranes. The reactivity of propagation in the polymerization of oxiranes can be represented by the positive charge on carbon atom and the low LUMO energy of active species of oxiranes. Ring opening of the complexed cyclic oxonium ion to the open chain carbenium ion is expected computational stability of the oxonium and carbenium ion by 30∼40 kcal/mol favoring the carbenium ion. The relative equilibrium concentration of cyclic oxonium and open carbenium ions will be a major determinant of mechanism. The chain growth $SN_1$, mechanism will be at least as fast as that for $SN_2$ mechanism.

• Journal of the Korean Chemical Society
• /
• v.30 no.2
• /
• pp.248-258
• /
• 1986

The electronic structures and geometries of model substituted oxiranes, and carbonyl ylides containing cyano, methoxy and thiomethoxy substituents were investigated by MNDO-SCF-MO method. Stabilization and geometries caused by substituents, the ease of formation of carbonyl ylides from oxiranes and the reactivities of the cycloaddition of substituted carbonyl ylides were investigated.

• Bulletin of the Korean Chemical Society
• /
• v.31 no.5
• /
• pp.1419-1420
• /
• 2010

• Bulletin of the Korean Chemical Society
• /
• v.26 no.2
• /
• pp.221-222
• /
• 2005

• Clean Technology
• /
• v.17 no.3
• /
• pp.201-208
• /
• 2011

The green house gas, carbon dioxide, can be utilized as raw materials to prepare carbon dioxide-based polycarbonates in research and industry. The carbon dioxide-based polycarbonates is one of the emerging low-cost green polymers. Recently, the fast development of carbon dioxide-based polycarbonates has created new chances for industry. In this review, we describe the preparation and characterization of cyclic carbonate monomer using carbon dioxide, oxiranes and oxetanes in the presence of various catalysts and preparation of polycarbonates from cyclic carbonate monomer, presenting an organized and detailed overview of the state of the art.