A triplet biradical organocalcium species derived from partial oxygen quenching of a substituted cyclopentadienyl calcium compound
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Reaction of [Ca{C5H3-1,3-(SiMe3) 2}2] 1, in toluene with oxygen yields the stable, rigid biradical [Ca{η-C5H3-1,3- (SiMe3) 2} {μ-OC5H2-2,4-(SiMe3) 2}]2 2, characterised by an X-ray structure determination [Ca-O 2.298(3), 2.210(3) Å; Ca-centroid 2.374(-)°; Ca-O-Ca 105.4(1)°; O-Ca-centroid 149.4(-)°] and EPR spectroscopy (resonance at g = 9.01, 4.21, 3.87 result from a super-exchange interaction between two unpaired electrons in the biradical).
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Chemical Communications