Bond length and bonded radii variations in nitride molecules and crystals

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dc.contributor.authorButerakos, Lewis A.en
dc.contributor.committeechairGibbs, Gerald V.en
dc.contributor.committeememberBoisen, Monte B. Jr.en
dc.contributor.committeememberViers, Jimmy W.en
dc.contributor.departmentGeological Sciencesen
dc.date.accessioned2014-03-14T21:31:08Zen
dc.date.adate2009-03-12en
dc.date.available2014-03-14T21:31:08Zen
dc.date.issued1990-08-09en
dc.date.rdate2009-03-12en
dc.date.sdate2009-03-12en
dc.description.abstractMolecular Orbital calculations on 31 H3:e_mxm+N:e hydronitride molecules containing 3-, 4-, and 6-coordinate X-cations from rows 1-4 of the periodic table yield minimum energy bond lengths, Rt(XN), which reproduce observed bond lengths, Ro(XN), in crystalline nitrides to within o.O₃A, on average. A linear regression analysis of In[Rt(XN)] vs. In(p) with p = air, where a is the Pauling bond strength and r is the row number of the X -cation in the periodic table, gives the equation R(XN) = 1.47p-O.2\ which is shown to reproduce the observed XN bond lengths of Baur (1987) to within o.o9A, on average. This equation is statistically identical to the equation R( XN) 1.49p-O.22, derived from a linear regression analysis ofln[Ro{XN)] vs. In(p), and is similar in form to those obtained for the oxides (R(XO) = 1.39p-O.22) and the sulfides (R(XS) = 1.83p-O.21).en
dc.description.degreeMaster of Scienceen
dc.format.extentv, 28 leavesen
dc.format.mediumBTDen
dc.format.mimetypeapplication/pdfen
dc.identifier.otheretd-03122009-040653en
dc.identifier.sourceurlhttp://scholar.lib.vt.edu/theses/available/etd-03122009-040653/en
dc.identifier.urihttp://hdl.handle.net/10919/41467en
dc.language.isoenen
dc.publisherVirginia Techen
dc.relation.haspartLD5655.V855_1990.B984.pdfen
dc.relation.isformatofOCLC# 23613137en
dc.rightsIn Copyrighten
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subject.lccLD5655.V855 1990.B984en
dc.subject.lcshNitridesen
dc.titleBond length and bonded radii variations in nitride molecules and crystalsen
dc.typeThesisen
dc.type.dcmitypeTexten
thesis.degree.disciplineGeological Sciencesen
thesis.degree.grantorVirginia Polytechnic Institute and State Universityen
thesis.degree.levelmastersen
thesis.degree.nameMaster of Scienceen

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