Bond length and bonded radii variations in nitride molecules and crystals

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).

Name thesis:degree_name

Master of Science

Level thesis:degree_level

masters

Discipline thesis:degree_discipline

Geological Sciences

Department dc:contributor.department

Geological Sciences

Grantor dc:publisher

Virginia Tech

Year dc:date.issued

1990

Author dc:creator

• Buterakos, Lewis A.

Chair dc:contributor.committeechair

• Gibbs, Gerald V.

Committee members dc:contributor.committeemember

• Boisen, Monte B. Jr.
• Viers, Jimmy W.

Statement dc:rights

• In Copyright

Licence dc:rights.uri

• http://rightsstatements.org/vocab/InC/1.0/

Language dc:language.iso

en

Dc Identifier Other

etd-03122009-040653

OAI identifier oai:identifier

oai:vtechworks.lib.vt.edu:10919/41467