• Refine Query
  • Source
  • Publication year
  • to
  • Language
  • 1
  • Tagged with
  • 1
  • 1
  • 1
  • 1
  • 1
  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
1

Bond length and bonded radii variations in nitride molecules and crystals

Buterakos, Lewis A. 12 March 2009 (has links)
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). / Master of Science

Page generated in 0.0417 seconds