Chemical bonding character of the network forming bonds in oxide glasses

Tokuro Nanba, Shinichi Sakida, Yoshinari Miura

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)

Abstract

Chemical bonding character of the glass network forming M-O bonds (M = Si, B, Ge, and Al) was evaluated based on the Mulliken population analyses, in which the bond overlap population QMO was obtained from the molecular orbital calculations. It was found in alkali silicates that the interaction of alkali ion with bridging oxygen reduced Qsio in Si-O-Si bridging bonds, and Qsio in Si-O-Na terminal bonds was much larger than that in Si-O-Si bridges. In M-O-M bridges, that is, Si-O-Si, B3-O-B3, B4-O-B4, Ge4-O-Ge4 (Bn, Gen: n-fold coordinated boron and germanium), QMO was distributed around 0.6 ± 0.I. In M-O-M′ bridges formed by the heterogeneous combinations of B3-O-B4, Ge4-O-Ge5, Ge4-O-Ge6, Si-O-B4, and Si-O-A14, QMO of M-O bond was larger than QM′O of M′-O bond, and the difference between QMO and QMO was about 0.2. It was suggested that the dispropoitional sharing of electrons reflected the π-bonding character, that is, more electrons were localized on the bonds with larger it-bonding character.

Original languageEnglish
Title of host publicationCeramic Transactions
Pages165-177
Number of pages13
Volume197
Publication statusPublished - 2006
Event6th Pacific Rim Conference on Ceramic and Glass Technology - Maui, Hawaii, United States
Duration: Sep 11 2005Sep 16 2005

Publication series

NameCeramic Transactions
Volume197
ISSN (Print)10421122

Other

Other6th Pacific Rim Conference on Ceramic and Glass Technology
CountryUnited States
CityMaui, Hawaii
Period9/11/059/16/05

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ASJC Scopus subject areas

  • Ceramics and Composites

Cite this

Nanba, T., Sakida, S., & Miura, Y. (2006). Chemical bonding character of the network forming bonds in oxide glasses. In Ceramic Transactions (Vol. 197, pp. 165-177). (Ceramic Transactions; Vol. 197).