Structural Characteristics of 3- and 4-Coordinate Borons from 11B MAS NMR and Single-Crystal NMR in the Nonlinear Optical Material BiB3O6

  • Kim, Woo Young (Department of Carbon Fusion Engineering, Jeonju University) ;
  • Lim, Ae Ran (Department of Carbon Fusion Engineering, Jeonju University)
  • Received : 2013.04.05
  • Accepted : 2013.06.10
  • Published : 2013.06.20


The structural characteristics of 4-coordinate $BO_4$ [B(1)] and 3-coordinate $BO_3$ [B(2)] groups in $BiB_3O_6$ were studied by $^{11}B$ magic angle spinning (MAS) and single-crystal nuclear magnetic resonance (NMR) spectroscopy. The spin-lattice relaxation time in the laboratory frame, $T_1$, for $^{11}B$ decreased slowly with increasing temperature, whereas the spin-lattice relaxation times in the rotating frame, $T_{1{\rho}}$, for B(1) and B(2), which differed from $T_1$, were nearly constant. Further, $T_{1{\rho}}$ for B(1) and B(2) showed very similar trends, although the $T_{1{\rho}}$ value of B(2) was shorter than that of B(1). The 3-coordinate $BO_3$ and 4-coordinate $BO_4$ were distinguished by $^{11}B$ MAS NMR spectrum and $T_{1{\rho}}$.



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