@article {45350,
	title = {Alkaline earth metal compounds of methylpyridinato beta-diketiminate ligands and their catalytic application in hydroboration of aldehydes and ketones},
	journal = {Organometallics },
	volume = { 37},
	year = {2018},
	month = {DEC},
	pages = {4576-4584},
	type = {Article },
	abstract = {<p>Ever increasing demand for green and sustainable chemical processes has set up a drive to replace transition metals with earth-abundant, nontoxic, and environmentally benign alternatives. In this regard, the alkaline earth metal complexes have attracted significant attention. Herein, we have used a beta-diketiminato ligand with methyl-pyridine side arm to synthesize magnesium (1) and calcium (2) compounds. The constitutions of 1 and 2 have been confirmed by single crystal X-ray studies, which show that the magnesium and calcium atom in 1 and 2 possesses octahedral geometry. Subsequently, we have used them as catalysts (1 mol \%) for hydroboration of a wide range of aldehydes using pinacolborane (HBpin) at room temperature. The strategy has further been extended to ketones with 2 mol \% catalyst loading. DFT calculations have been performed to understand the mechanism.</p>},
	issn = {0276-7333},
	doi = {10.1021/acs.organomet.8b00568},
	author = {Yadav,  Sandeep and Dixit,  Ruchi and Bisai,  Milan Kumar and Vanka,  Kumar and Sen,  Sakya S.}
}
@article {44558,
	title = {What drives the H-abstraction reaction in bio-mimetic oxoiron-bTAML complexes? A computational investigation},
	journal = {Physical Chemistry and Chemical Physics},
	volume = {20},
	year = {2018},
	month = {APR },
	pages = {13845-13850 },
	type = {Journal Article},
	abstract = {Monomeric iron-oxo units have been confirmed as intermediates involved in the C{\textendash}H bond activation in various metallo-enzymes. Biomimetic oxoiron complexes of the biuret modified tetra-amido macrocyclic ligand (bTAML) have been demonstrated to oxidize a wide variety of unactivated C{\textendash}H bonds. In the current work, density functional theory (DFT) has been employed to investigate the hydrogen abstraction (HAT) reactivity differences across a series of bTAML complexes. The cause for the differences in the HAT energy barriers has been found to be the relative changes in the energy of the frontier molecular orbitals (FMOs) induced by electronic perturbation.},
	issn = {14639076},
	doi = {10.1039/C8CP01333K},
	author = {Mukherjee, Anagh},
	editor = {Pattanayak, Santanu}
}
