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Titolo:
AN APPLICATION OF QUANTUM-CHEMISTRY TO THE SEARCH FOR NEW MATERIALS -METASTABLE POLYMERS FORMED AT HIGH-PRESSURES
Autore:
JONES WH;
Indirizzi:
UNIV W FLORIDA,DEPT CHEM,11000 UNIV PKWY PENSACOLA FL 32514
Titolo Testata:
Journal of molecular structure. Theochem
fascicolo: 3, volume: 103, anno: 1993,
pagine: 299 - 306
SICI:
0166-1280(1993)103:3<299:AAOQTT>2.0.ZU;2-F
Fonte:
ISI
Lingua:
ENG
Soggetto:
NITROGEN-OXIDES; MNDO/AM1; AM1;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
22
Recensione:
Indirizzi per estratti:
Citazione:
W.H. Jones, "AN APPLICATION OF QUANTUM-CHEMISTRY TO THE SEARCH FOR NEW MATERIALS -METASTABLE POLYMERS FORMED AT HIGH-PRESSURES", Journal of molecular structure. Theochem, 103(3), 1993, pp. 299-306

Abstract

MNDO/AM1 studies indicate the possibility of forming metastable polymers of nitrogen oxides, through application of the extreme pressures which have become accessible in recent years. Kinetically stable open-chain polymers of nitric oxide, (NO)x, analogous to the known polythiazyl, (SN)x, and/or (ONNO)x, and polycyclic (ONNO)x, may be obtainable. Of particular interest is the possibility of forming a planar, cis, trans open-chain polymer of nitrous oxide, which is geometrically quite similar to (SN)x. As offshoots of the investigations, it is found that: (1) a polycyclic derivative, (SNNS)x, may be formed exothermically from (SN)x, and possess superior conducting properties; (2) marriage ofa hypothetical cyclic trimer of nitric oxide and an open-chain polymer of nitrous oxide may account for experimental investigations which have reported a preponderance of the (NO)3(ONN)x+ cations in mass-spectrometric studies of mixtures of nitric and nitrous oxides; (3) an interesting series of strain-free cage compounds, N6O6, N6S6, and N12H6, Which are isostructural with the skeleton of the known hydrocarbon iceane, C12H18 may be realizable; (4) high-energy cyclic oligomers of nitrous oxide, (N2O)2-6, which are similar to crown ethers, and whose derivatives might form a novel series of sequestering agents or gas generators, are possible.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 05/07/20 alle ore 00:15:48