KBH4
		Boron and Potassium
	Nuclear Quadrupole Coupling Constants
		in Potassium Tetrahydroborate
	Table 1. Boron and Potassium nqcc's in KBH4 (MHz).   Calculation was made on the rs/ro structures of Kawashima and Hirota given below and designated here as A, B, and C.   Calc. Expt. [1]   11B Xzz A - 0.839 - 0.722(59) B - 0.654 C - 0.467   10B Xzz A - 1.739 - 1.392(76) B - 1.356 C - 0.968   39K Xzz A - 4.081 - 4.256(29) B - 4.124 C - 4.160   41K Xzz A - 4.951 - 5.191(22) B - 5.004 C - 5.047
	Molecular Structure
	rs(KB) = 2.65641 Å, which when combined with assumed values for the angle HbBHt leads to ro distances for BHb and BHt.  Kawashima and Hirota [2] derived in this manner the following BH4 structures:
	A)   HbBHt = 109.8o, BHb = 1.302 Å, and BHt = 1.203 Å.
	B)   HbBHt = 110.8o, BHb = 1.272 Å, and BHt = 1.233 Å.
	C)   HbBHt = 111.8o, BHb = 1.242 Å, and BHt = 1.263 Å.
	[1] Y.Kawashima, Y.Ohshima, Y.Endo, and E.Hirota, J.Mol.Spectrosc. 174,279(1995).
	[2] Y.Kawashima and E.Hirota, J.Chem.Phys. 102,6961(1995).
	LiBH4		NaBH4
	Table of Contents
	Molecules/Boron
	Molecules/Potassium
						KBH4.html
						Last Modified 28 Oct 2008