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A comparison of theoretical and observed bridging bond lengths and angles in condensed phosphates and sulfates

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dc.contributor.authorDytrych, William Josephen
dc.contributor.departmentGeological Sciencesen
dc.date.accessioned2020-12-15T19:11:32Zen
dc.date.available2020-12-15T19:11:32Zen
dc.date.issued1983en
dc.description.abstractAb initio STO-3G* MO calculations for the diphosphoric acid (H₄P₂O₇) and disulfuric acid (H₂S₂O₇) molecules reproduce the bridging bond length and angle averages observed in solid phosphates and sulfates. Potential energy curves calculated for both molecules relate the observed bridging bond length and angle variations in their solids. Orbital population analyses for both molecules suggest that all five 3d-orbitals play a role in bonding instead of just the two proposed by Cruickshank (1961). The accuracy with which the molecular geometries account for the averages and trends observed in related solids supports the assertion that the local bonding forces in solid phosphates and sulfates behave as though they are short range.en
dc.description.degreeM.S.en
dc.format.extentvi, 47 leavesen
dc.format.mimetypeapplication/pdfen
dc.identifier.urihttp://hdl.handle.net/10919/101425en
dc.language.isoenen
dc.publisherVirginia Polytechnic Institute and State Universityen
dc.relation.isformatofOCLC# 11035356en
dc.rightsIn Copyrighten
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subject.lccLD5655.V855 1983.D986en
dc.subject.lcshChemical bondsen
dc.subject.lcshPhosphatesen
dc.subject.lcshSulfatesen
dc.titleA comparison of theoretical and observed bridging bond lengths and angles in condensed phosphates and sulfatesen
dc.typeThesisen
dc.type.dcmitypeTexten
thesis.degree.disciplineGeological Sciencesen
thesis.degree.grantorVirginia Polytechnic Institute and State Universityen
thesis.degree.levelmastersen
thesis.degree.nameM.S.en

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