Abstract
Using X-ray analysis, we have determined the crystal structure of di(1-n-dodecylpyridine) decahydrocloso-decaborate(2-), (py-C12H25)2[B10H10] (I), a yellow salt-like substance obtained by reaction of (py-C12H25)Br and K2[B10H10] in an aqueous solution. Compound I melts at 1250 without decomposition and luminesces under ultraviolet radiation (λmax=555 nm at 298 K). In I, quaternary pyridine bases, containing a hydrocarbon radical with the C12 chain, are combined with the closo-cluster hydroborate anion [B10H10]2-. This results in a charge transfer structure having shortened nonvalent (equatorial B) H.…H(C of pyridine) contacts of 2.41(8) A. Crystals I are orthorhombic with a=8.584 (1), b=7.739(1), c=31.183(5) A, Vcell=2071.4(5) A3, space group Pnmm, Z=2, dcalc=0.986 g/cm3 (a Syntex P21 automatic diffractometer, λCUKα, Nmsd/used=1654/711, Raniso=0.076, Rw=0.080, w=1/(σ(Fobs)2+0.0007·F obs 2 ). Substantial changes are observed in the vibration range of the valent B−H bonds in the IR spectrum of I as compared to that of pure ionic K2[B10H10], confirming the interaction.
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