AM1 semiempirical computational analysis of the homopolymerization of spiroorthocarbonate

Journal of Molecular Structure: THEOCHEM

Volumn 507, Issue 1-3, 2000, Pages 265-275

  Harris, C D ^a   Holder, A J ^a   Eick, J D ^a   Chappelow, C C ^b  

^a UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

^b MIDWEST RESEARCH INSTITUTE   (United States)

Author keywords

CH O hydrogen bond; Polymerization shrinkage; Ring opening; Transition state

Indexed keywords

EPOXY RESIN; MONOMER; SPIRO COMPOUND;

ARTICLE; COMPUTER MODEL; ELECTRON TRANSPORT; HYDROGEN BOND; METHYLATION; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PHASE TRANSITION; POLYMERIZATION; QUANTUM MECHANICS; THERMODYNAMICS;

EID: 0034710142     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00476-5     Document Type: Article

References (13)

1. Bailey W.J. Cationic polymerization with expansion in volume. J. Macromol. Sci. Chem. 9:1975;849.
2. Bollin C.B., Frey H., Mülhapt R. Synthesis and photoinitiated polymerization of 2-methylene-7-phenyl-1,4,6,9-tetraoxaspiro[4.4]nonane. Macromolecules. 29:1996;3111-3116.
3. Takata T., Sanda F., Ariga T., Nemoto H., Endo T. Cyclic carbonates, novel expandable monomers on polymerization. Macromol. Rapid Commun. 18:1997;461-469.
4. Ishida H., Low H.Y. A study on the volumetric expansion of benzoxazine-based phenolic resin. Macromolecules. 30:1997;1099-1106.
5. Byerley T.J., Eick J.D., Chen G.P., Chappelow C.C., Millich F. Synthesis and polymerization of new expanding dental monomers. Dent. Mater. 8:1992;345.
6. Lim J.T., Piggott M.R., Bailey W.J. Toughness of fibre composites with controlled matrix shrinkage. Sampe Q. 15:(4):1984;25.
7. Dewar M.J.S., Zoebisch E.G., Healy E.F., Stewart J.J.P. AM1: a new general purpose quantum mechanical molecular model. J. Am. Chem. Soc. 107:1985;3902.
8. AMPAC 6.0, @1998 Semichem, P.O. Box 1649, Shawnee, KS 66216.
9. Fujkinami T., Tsuji H., Sakai S. Effect of substituents on cationic polymerization of six-membered spiro orthocarbonates. Polym. J. 9:(6):1977;553-560.
10. Takata T., Endo T. Ionic polymerization of oxygen-containing bicyclic, spirocyclic, and related expandable monomers in expanding monomers. Sadhir R.J., Juck R.M. Expanding Monomers: Synthesis, Characterization, and Applications. 1992;99 CRC, Boca Raton, FL.
11. Allen F.H., Lommerse J.P.M., Hoy V.J., Howard J.A.K., Desiraju G.R. The hydrogen bond C-H donor and π-acceptor characteristics of three-membered rings. Acta Cryst. B. 52:1996;734-745.
12. Steiner T. Unrolling the hydrogen bond properties of C-H-O interactions. Chem. Commun. 1997;727-734.
13. Mehta G., Vidya R. A novel architecture in solid state with extensive network of C-H-O interactions. X-ray crystal structure of the 'oxa-bowl' pentaoxa[5]peristylane. Tetrahedron Lett. 39:1998;6403-6406.