biostudies-literatureCao YDivision of ChemistryState Key Laboratory of Urban Water Resource and Environment14167-14173https://www.ebi.ac.uk/biostudies/studies/S-EPMC8565379biostudies-literatureUnknown12(42)Pyridine and quinoline undergo selective C-H activation in the 2-position with Rh and Ir complexes of a boryl/bis(phosphine) PBP pincer ligand, resulting in a 2-pyridyl bridging the transition metal and the boron center. Examination of this reactivity with Rh and Ir complexes carrying different non-pincer ligands on the transition metal led to the realization of the possible isomerism derived from the 2-pyridyl fragment connecting either <i>via</i> B-N/C-M bonds or <i>via</i> B-C/N-M bonds. This M-C/M-N isomerism was systematically examined for four structural types. Each of these types has a defined set of ligands on Rh/Ir besides 2-pyridyl and PBP. A pair of M-C/M-N isomers for each type was computationally examined for Rh and for Ir, totaling 16 compounds. Several of these compounds werChemical scienceCooperative C-H activation of pyridine by PBP complexes of Rh and Ir can lead to bridging 2-pyridyls with different connectivity to the B-M unit.PMC8565379QA202009CHE-2102324Bhuvanesh NOzerov OVCao YShih WCZhou JfalseCooperative C-H activation of pyridine by PBP complexes of Rh and Ir can lead to bridging 2-pyridyls with different connectivity to the B-M unit.Pyridine and quinoline undergo selective C-H activation in the 2-position with Rh and Ir complexes of a boryl/bis(phosphine) PBP pincer ligand, resulting in a 2-pyridyl bridging the transition metal and the boron center. Examination of this reactivity with Rh and Ir complexes carrying different non-pincer ligands on the transition metal led to the realization of the possible isomerism derived from the 2-pyridyl fragment connecting either <i>via</i> B-N/C-M bonds or <i>via</i> B-C/N-M bonds. This M-C/M-N isomerism was systematically examined for four structural types. Each of these types has a defined set of ligands on Rh/Ir besides 2-pyridyl and PBP. A pair of M-C/M-N isomers for each type was computationally examined for Rh and for Ir, totaling 16 compounds. Several of these compounds wer2021-01-01T00:00:00Z2021 Nov2026-05-08T18:26:25.645Z2022-02-11T12:43:44.879ZS-EPMC85653793476020110.1039/d1sc01850g