@article {2090,
	title = {1,5,2,4,6,8-Dithiatetrazocine. Synthesis, computation, crystallography and voltammetry of the parent heterocycle},
	journal = {Dalton Transactions},
	volume = {40},
	number = {43},
	year = {2011},
	note = {Times Cited: 0Moock, Klaus H. Wong, Ken M. Boere, Rene T.},
	pages = {11599-11604},
	abstract = {The prototypal 1,5,2,4,6,8-dithiatetrazocine has been synthesized for the first time by two routes: reaction of 1,2,3,5-dithiadiazolium chloride with N, N, N{\textquoteright}-tris(trimethylsilyl) formamidine in acetonitrile and reaction of 1,2,3,5-dithiadiazolyl radical with dioxygen in solution. Yields are low but single crystals could be obtained for an X-ray crystal structure determination which shows it to have the planar delocalized structure predicted by B3LYP/6-311+G(2d,p) hybrid DFT calculations. The crystal structure is strongly reminiscent of that of benzene in the same Pbca space group. Aromaticity is demonstrated by a H-1 NMR chemical shift of +9.70 ppm indicative of diamagnetic ring shielding and an intense low-energy optical absorption with lambda(max) = 349 nm (MeOH). The voltammetric behaviour of the title compound is compared with that of 1,3 lambda(4)delta(2),5,2,4-trithiadiazepine; both resist electrochemical oxidation and reduction over a wide potential range as is typical for aromatic heterocycles.},
	isbn = {1477-9226},
	url = {<Go to ISI>://WOS:000296204100035},
	author = {Moock, K. H. and Wong, K. M. and Boer{\'e}, R. T.}
}
