%0 Generic %A Mendiratta, Arjun %A Cummins, Christopher C. %A Kryatova, Olga P. %A Rybak-Akimova, Elena V. %A McDonough, James E. %A Hoff, Carl D. %D 2003 %T Molybdenum Chalcogenobenzimidato Complexes:  Radical Synthesis and Nitrile Extrusion via β-EPh (E = S, Se, and Te) Elimination %U https://acs.figshare.com/articles/dataset/Molybdenum_Chalcogenobenzimidato_Complexes_Radical_Synthesis_and_Nitrile_Extrusion_via_EPh_E_S_Se_and_Te_Elimination/3354922 %R 10.1021/ic035077d.s001 %2 https://acs.figshare.com/ndownloader/files/5194234 %K S analogues exhibit %K quantum chemical calculations %K Nitrile Extrusion %K Molecular structure determinations %K 0.5 equiv %K Se variants %K solution calorimetry %K Bu %K Elimination Molybdenum chalcogenobenzimidates %K PhCN extrusion reaction %K Te variant extrudes PhCN %X Molybdenum chalcogenobenzimidates of formula (Ph[PhE]CN)Mo(N[t-Bu]Ar)3 (Ar = 3,5-C6H3Me2) have been obtained by treatment of Mo(N[t-Bu]Ar)3 sequentially with benzonitrile and 0.5 equiv of PhEEPh (E = S, Se, and Te). Molecular structure determinations have been carried out for the S and Se variants. The Te variant extrudes PhCN forming structurally characterized (PhTe)Mo(N[t-Bu]Ar)3 with facility assessed via stopped-flow kinetic measurements, while the Se and S analogues exhibit increasing stability. Quantum chemical calculations and solution calorimetry have been employed as an aid to interpretation of the PhCN extrusion reaction. %I ACS Publications