@article {47769,
	title = {Regioselectivity in metalloradical catalyzed C-H bond activation: a theoretical study},
	journal = {Journal of Organometallic Chemistry},
	volume = {957},
	year = {2022},
	month = {JAN },
	pages = {122179},
	type = {Article},
	abstract = {Pure quantum mechanical calculations were performed to find out the origin of regioselectivity under the metalloradical catalysis (MRC) by Co(II)-porphyrin, which showed regioselectivity is the inherent property of the aminyl radical generated from the sulfamoyl azide substrate. Different conformational analysis for the transition state from alpha-Co-III-aminyl radical to zeta-Co-III-alkyl radical formation have been studied to find out the most stable conformation for the preferable selectivity. The outcome of our study completely agrees with the reported experimental results. (C) 2021 Elsevier B.V. All rights reserved.},
	keywords = {C-H activation, DFT, Metalloporphyrin, Metalloradical, Regioselectivity},
	issn = {0022-328X},
	doi = {10.1016/j.jorganchem.2021.122179},
	author = {Mukherjee, Anirban and Singh, Ritesh and Mane, Kishor D. and Das, Gourab Kanti}
}
@article {49027,
	title = {Tridentate NacNac tames T-shaped nickel(I) radical},
	journal = {Chemistry- a european journal},
	volume = {30},
	year = {2024},
	month = {FEB},
	type = {Article},
	abstract = {<p>
	The reaction of a nickel(II) chloride complex containing a tridentate beta-diketiminato ligand with a picolyl group [2,6-iPr2-C6H3NC(Me)CHC(Me)NH(CH2py)]Ni(II)Cl (1)] with KSi(SiMe3)3 conveniently afforded a nickel(I) radical with a T-shaped geometry (2). The compound{\textquoteright}s metalloradical nature was confirmed through electron paramagnetic resonance (EPR) studies and its reaction with TEMPO, resulting in the formation of a highly unusual three-membered nickeloxaziridine complex (3). When reacted with disulfide and diselenide, the S-S and Se-Se bonds were cleaved, and a coupled product was formed through carbon atom of the pyridine-imine group. The nickel(I) radical activates dihydrogen at room temperature and atmospheric pressure to give the monomeric nickel hydride. A thermally stable, T-shaped, nickel(I) radical was straightforward obtained by reduction of a tridentate nacnac nickel(II) chloride with KSi(TMS)3. The metalloradical character of the compound was demonstrated by the formation of a highly unusual nickeloxaziridine complex upon addition of TEMPO. The Ni(I) species displays a rich chemistry towards activation S-S, and Se-Se bond leading to unusual C-C coupled product as well as dihydrogen activation at room temperature and atmospheric pressure to generate monomeric nickel hydride.+image</p>
},
	keywords = {C-C Bond formation, Hydrogen Activation, Metalloradical, Nickel, Tridentate nacnac},
	issn = {0947-6539},
	doi = {10.1002/chem.202303957},
	author = {Pahar, Sanjukta and Sharma, Vishal and Raj, K. Vipin and Sangole, Mayur P. and George, Christy P. and Singh, Kirandeep and Vanka, Kumar and Gonnade, Rajesh G. and Sen, Sakya S.}
}
