{"id":{"repo_id":"vt","oai_identifier":"oai:vtechworks.lib.vt.edu:10919/41467"},"canonical_url":"https://search.dev.ndltd.org/etd/vt/oai:vtechworks.lib.vt.edu:10919/41467","repository":{"repo_id":"vt","name":"Virginia Tech","base_url":"https://vtechworks.lib.vt.edu/oai/request"},"display":{"title":"Bond length and bonded radii variations in nitride molecules and crystals","abstract":"Molecular 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).","abstract_html":"Molecular 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).","abstract_has_math":false,"creators":["Buterakos, Lewis A."],"institution":"Virginia Tech","degree_name":"Master of Science","degree_level":"masters","degree_discipline":"Geological Sciences","degree_department":"Geological Sciences","school":null,"contributors":[],"advisors":[],"committee_chairs":["Gibbs, Gerald V."],"committee_members":["Boisen, Monte B. Jr.","Viers, Jimmy W."],"year":1990,"date_issued":"1990-08-09","date_published":"1990-08-09","updated_at":"2026-07-22T22:19:03Z","subjects":[],"languages":["en"],"rights":["In Copyright"],"rights_urls":["http://rightsstatements.org/vocab/InC/1.0/"],"identifier_entries":[{"key":"dc:identifier.other","label":"Dc Identifier Other","values":["etd-03122009-040653"],"render_values":[{"text":"etd-03122009-040653","href":null,"code":true}]}]},"links":{"outbound_url":"http://hdl.handle.net/10919/41467","outbound_label":"Handle","outbound_source":"dc:identifier.uri"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor.committeechair","label":"Committee Chair","values":["Gibbs, Gerald V."]},{"key":"dc:contributor.committeemember","label":"Committee Member","values":["Boisen, Monte B. 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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)."]},{"key":"dc:description.degree","label":"Dc Description Degree","values":["Master of Science"]},{"key":"dc:format.medium","label":"Dc Format Medium","values":["BTD"]},{"key":"dc:format.mimetype","label":"Dc Format Mimetype","values":["application/pdf"]},{"key":"dc:title","label":"Title","values":["Bond length and bonded radii variations in nitride molecules and crystals"]}]}],"canonical_facts":{"dc:contributor.committeechair":["Gibbs, Gerald V."],"dc:contributor.committeemember":["Boisen, Monte B. Jr.","Viers, Jimmy W."],"dc:contributor.department":["Geological Sciences"],"dc:creator":["Buterakos, Lewis A."],"dc:date.accessioned":["2014-03-14T21:31:08Z"],"dc:date.available":["2014-03-14T21:31:08Z","2009-03-12"],"dc:date.issued":["1990-08-09"],"dc:description.abstract":["Molecular 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)."],"dc:description.degree":["Master of Science"],"dc:format.medium":["BTD"],"dc:format.mimetype":["application/pdf"],"dc:identifier.other":["etd-03122009-040653"],"dc:identifier.uri":["http://hdl.handle.net/10919/41467"],"dc:language.iso":["en"],"dc:publisher":["Virginia Tech"],"dc:rights":["In Copyright"],"dc:rights.uri":["http://rightsstatements.org/vocab/InC/1.0/"],"dc:title":["Bond length and bonded radii variations in nitride molecules and crystals"],"dc:type":["Thesis"],"dc:type.dcmitype":["Text"],"thesis:degree_discipline":["Geological Sciences"],"thesis:degree_level":["masters"],"thesis:degree_name":["Master of Science"],"thesis:institution_name":["Virginia Polytechnic Institute and State University"]},"updated_at":"2026-07-22T22:19:03Z"}