An Open‐Shell Singlet Sn<sup>I</sup> Diradical and H<sub>2</sub> Splitting
Mahendra K. Sharma, Dennis Rottschäfer, Timo Glodde, Beate Neumann, Hans‐Georg Stammler, Rajendra S. Ghadwal
Abstract
Abstract The first Sn I diradical [(ADC Ph )Sn] 2 ( 4 ) based on an anionic dicarbene (ADC Ph ={CN(Dipp)} 2 CPh; Dipp=2,6‐iPr 2 C 6 H 3 ) scaffold has been isolated as a green crystalline solid by KC 8 reduction of the corresponding bis‐chlorostannylene [(ADC Ph )SnCl] 2 ( 3 ). The six‐membered C 4 Sn 2 ‐ring of 4 containing six π‐electrons shows a diatropic ring current, thus 4 may also be regarded as the first 1,4‐distannabenzene derivative. DFT calculations suggest an open‐shell singlet (OS) ground state of 4 with a remarkably small singlet–triplet energy gap (ΔE OS–T =4.4 kcal mol −1 ), which is consistent with CASSCF (ΔE S–T =6.6 kcal mol −1 and diradical character y=37 %) calculations. The diradical 4 splits H 2 at room temperature to yield the bis‐hydridostannylene [(ADC Ph )SnH] 2 ( 5 ). Further reactivity of 4 has been studied with PhSeSePh and MeOTf.