Experimental and Theoretical Studies of New Rhenium Carbonyls Containing 4,5-Bis(chalcogenodiphenylphosphinoyl)-1,2,3-triazolates

The novel binuclear complexes [Re(CO)(3)-mu-{kappa(3)-N,N',E-LT-E2}(2)](2) E = S and Se were prepared upon reaction of the corresponding potassium bis(chalcogenodiphenylphosphinoyl)triazolate, K[LT-E2], and [ReBr(CO)(5)]. P-31{H-1}-NMR monitoring studies showed that formation of the binuclear complexes was preceded by the corresponding mononuclear complex [Re(CO)(4){kappa(2)-N,E-LT-E2] (E = S, Se). Theoretical calculations indicated that a faster reaction time for the formation of the sulfur binuclear complex in comparison with its selenium analog stems from thermodynamic considerations. The new complexes herein reported were characterized by standard spectroscopic techniques and single crystal X-ray analysis. (C) 2016 Elsevier B.V. All rights reserved.