Cis- and trans molybdenum oxo complexes of a prochiral tetradentate aminophenolate ligand : Synthesis, characterization and oxotransfer activity
Abstract Reaction of [MoO2Cl2(dmso)2] with the tetradentate O2N2 donor ligand papy [H2papy = N-(2-hydroxybenzyl)-N-(2-picolyl)glycine] leads to formation of the dioxomolybdenum(VI) complex [MoO2(papy)] (1) as a mixture of cis and trans isomers. Recrystallization from methanol furnishes solid cis-1, whereas the use of a dichloromethane-hexane mixture allows for the isolation of the trans-1 isomer. Both isomers have been structurally characterized by X-ray crystallography and the energy difference between the isomeric pair has been investigated by electronic structure calculations. Optimization of two configurational isomers in the gas phase predicts the trans isomer to lie 2.5 kcal/mol lower…
CCDC 1502861: Experimental Crystal Structure Determination
Related Article: Md. Kamal Hossain, Anja Köhntopp, Matti Haukka, Michael G. Richmond, Ari Lehtonen, Ebbe Nordlander|2020|Polyhedron|178|114312|doi:10.1016/j.poly.2019.114312
CCDC 1502862: Experimental Crystal Structure Determination
Related Article: Md. Kamal Hossain, Anja Köhntopp, Matti Haukka, Michael G. Richmond, Ari Lehtonen, Ebbe Nordlander|2020|Polyhedron|178|114312|doi:10.1016/j.poly.2019.114312
CCDC 1502863: Experimental Crystal Structure Determination
Related Article: Md. Kamal Hossain, Anja Köhntopp, Matti Haukka, Michael G. Richmond, Ari Lehtonen, Ebbe Nordlander|2020|Polyhedron|178|114312|doi:10.1016/j.poly.2019.114312