Crystal structure, vibrational spectra, and normal coordinate analysis of (n-Bu4N)2[{Ru(NO)ClI2}2(μ-I2)] • 2I2

By treatment of (n-(BuN)-N-4)(2)[Ru(NO)I-5] with (n-Bu4N)Cl in dichloromethane (n-Bu4N)(2)[{Ru(NO)ClI2}(2)(mu-I-2)] is formed. The X-Ray structure determination on a single crystal of (n-Bu4N)(2)[{Ru(NO)ClI2}(2)(mu-I-2)] . 2I(2) (monoclinic, space group I 2/a, a = 20.446(6), b = 11.482(8), c = 27.225(3) Angstrom, beta = 107.51(4)degrees Z = 4) reveals a dinuclear iodine bridged structure, in which the chlorine atoms are trans positioned to the nitrosyl groups. The low temperature IR and Raman spectra have been recorded of (n-Bu4N)(2)[{Ru(NO)-ClI2}(2)(mu-I-2)] . 2I(2) and are assigned by normal coordinate analysis. A good agreement between observed and calculated frequencies is achieved. The valence force constants are f(d)(NO) = 14.08, f(d)(RuN) = 5.58, f(d)(RuCl) = 1.52, f(d)(RuIt) = 0.90 and f(d)(RuIb) = 0.76 mdyn/Angstrom.