Organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. 12112-67-3, formula is C16H24Cl2Ir2, Name is Chloro(1,5-cyclooctadiene)iridium(I) dimer. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Quality Control of 12112-67-3.
Biswas, Soumik;Blessent, Michael J.;Gordon, Benjamin M.;Zhou, Tian;Malakar, Santanu;Wang, David Y.;Krogh-Jespersen, Karsten;Goldman, Alan S. research published 《 Origin of Regioselectivity in the Dehydrogenation of Alkanes by Pincer-Iridium Complexes: A Combined Experimental and Computational Study》, the research content is summarized as follows. PCP-pincer (κ3-2,6-C6H3(CH2PR2)2) iridium complexes have been reported to catalyze the transfer dehydrogenation of n-alkanes with high regioselectivity for the terminal position. We find that the very closely related PCOP (κ3-2,6-C6H3(CH2PR2)(OPR2)) and POCOP (κ3-2,6-C6H3(OPR2)2) complexes, in contrast, afford no such regioselectivity. The difference is a true kinetic phenomenon, i.e., it is not a result of isomerization subsequent to the formation of free α-olefin. In addition to direct observation of the distribution of n-alkane dehydrogenation products over time, the pronounced difference in regioselectivity is confirmed through intermol. competition studies of the reverse reaction (olefin transfer hydrogenation) and of the dehydrogenation of cycloalkane vs n-alkane. Electronic structure (DFT) calculations indicate that the rate- and selectivity-determining step for dehydrogenation by the (PCP)Ir complexes is β-H transfer. C-H activation at the primary position is much more favorable than at secondary positions, but this is not responsible for the terminal regioselectivity; indeed, the formation of α-olefin via C2-H addition and transfer of the C1-H bond is calculated to be slightly more favorable than dehydrogenation proceeding via C1-H addition For both PCP and POCOP complexes, the formation of the α-olefin iridium dihydride complex is more facile than the formation of internal-olefin complexes. The next step in the catalytic pathway, loss of olefin, is calculated to have an activation energy that is significantly greater than the metal-ligand (thermodn.) bond energy. In the case of POCOP complexes, the loss of olefin, rather than β-H transfer, is the rate- and selectivity-determining step. The hydrocarbon moiety in the transition state for olefin loss has the character of a fully formed olefin; this favors the formation of internal olefin. The different regioselectivity of (POCOP)Ir vs (PCP)Ir catalysts is thus attributable to the different rate-determining steps of their resp. catalytic cycles; this in turn can be explained in terms of different electronic effects of O vs. CH2 linker exerted through the pincer aromatic ring.
Quality Control of 12112-67-3, Bis(1,5-cyclooctadiene)diiridium(I) is a useful research compound. Its molecular formula is C16H24Cl2Ir2-2 and its molecular weight is 671.7 g/mol. The purity is usually 95%.
Bis(1,5-cyclooctadiene)diiridium(I) Dichloride is a catalyst used in the iridium-catalyzed asymmetry hydrogenation of unfunctionalized exocyclic double carbon bonds. Also, it is used to test new NeoPHOX ligands derived from serine or threonine.
Bis(1,5-cyclooctadiene)diiridium(I) dichloride is an acid that can be prepared using a preparative method. It is an organometallic compound that can be used in the cross-coupling of activated terminal alkynes with aryl halides. Bis(1,5-cyclooctadiene)diiridium(I) dichloride has been synthesized by reacting furfural with chloride and acetonitrile. The ligand used was 2,2′-bipyridine. The reaction time to produce bis(1,5-cyclooctadiene)diiridium(I) dichloride is approximately three hours.
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Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics