1378023-44-9Relevant academic research and scientific papers
Tuning the electronic structure of Mo-Mo quadruple bonds by N for O for S substitution
Hicks, Jamie,Ring, Sam P.,Patmore, Nathan J.
, p. 6641 - 6650 (2012)
A series of quadruply bonded dimolybdenum compounds of form Mo 2(EE′CCCPh)4 (EE′ = {NPh}2, Mo 2NN; {NPh}O, Mo2NO;{NPh}S, Mo2NS; OO, Mo 2OO) have been synthesised by ligand exchange reactions of Mo 2(O2CCH3)4 with the acid or alkali metal salt of {PhCCCEE′}-. The compounds Mo2NO, Mo2NS and Mo2OO were structurally characterised by single crystal X-ray crystallography. The structures show that Mo2NO adopts a cis-2,2 arrangement of the ligands about the Mo24+ core, whereas Mo2NS adopts the trans-2,2 arrangement. The influence of heteroatom substitution on the electronic structure of the compounds was investigated using cyclic voltammetry and UV-Vis spectroscopy. Simple N for O for S substitution in the bridging ligands significantly alters the electronic structure, lowering the energy of the Mo2-δ HOMO and reducing the Mo24+/5+ oxidation potential by up to 0.9 V. A different trend is found in the optoelectronic properties, with the energy of the Mo2-δ-to-ligand-π* transition following the order Mo2OO > Mo2NO > Mo2NN > Mo 2NS. Electronic structure calculations employing density functional theory were used to rationalise these observations.
Femtosecond Study of Dimolybdenum Paddlewheel Compounds with Amide/Thioamide Ligands: Symmetry, Electronic Structure, and Charge Distribution in the1MLCT S1 State
Jiang, Changcheng,Young, Philip J.,Brown-Xu, Samantha,Gallucci, Judith C.,Chisholm, Malcolm H.
, p. 1433 - 1445 (2017/02/15)
Four photophysically interesting dimolybdenum paddlewheel compounds are synthesized and characterized: I and II contain amide ligand (N,3-diphenyl-2-propynamide), and III and IV contain thioamide ligand (N,3-diphenyl-2-propynethioamide). I and III are tra
