A N-Co-N core is embedded within [Co(CNC)] (1) supported by two bis(4-methyl-2-(3-methyl-imidazolium)phenyl)amine (CNC) ligands. This species reveals a stable = 1/2 state and its spin density is significantly delocalized within the N-Co-N core parallel π-bonding interaction. Interestingly, it displays unusual stability towards O and water, proving that the core is well protected. Upon reduction, compound 1 was converted to its reduced diamagnetic species [Co(CNC)] (2) having two amide donors and a low-spin Co(III) ion, which can be oxidized by air to regenerate 1.
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http://dx.doi.org/10.1039/d4cc02146k | DOI Listing |
J Am Soc Mass Spectrom
October 2024
Radboud University, Institute for Molecules and Materials, FELIX Laboratory, Toernooiveld 7, 6525 ED Nijmegen, The Netherlands.
Complexes of proline (Pro) cationized with Zn and Cd were examined by infrared multiple photon dissociation (IRMPD) action spectroscopy using light generated from a free electron laser. Complexes of intact Pro with CdCl, CdCl(Pro), a complex of (Zn+Pro-H) where a proton has been lost, as well as Zn(Pro-H)(Pro) were formed by electrospray ionization. In order to identify the structures formed experimentally, the IRMPD spectra were compared to those calculated from optimized structures at the B3LYP/6-311+G(d,p) level for zinc complexes and B3LYP/def2-TZVP level with an effective core potential on cadmium for the CdCl(Pro) system.
View Article and Find Full Text PDFChem Commun (Camb)
September 2024
Department of Chemistry, Seoul National University, Seoul 08826, Republic of Korea.
A N-Co-N core is embedded within [Co(CNC)] (1) supported by two bis(4-methyl-2-(3-methyl-imidazolium)phenyl)amine (CNC) ligands. This species reveals a stable = 1/2 state and its spin density is significantly delocalized within the N-Co-N core parallel π-bonding interaction. Interestingly, it displays unusual stability towards O and water, proving that the core is well protected.
View Article and Find Full Text PDFWe investigate the graded-index few-mode fiber (GI-FMF) to realize a 4-LP-mode (i.e. LP, LP, LP, and LP) fiber for mode-division-multiplexed transmission.
View Article and Find Full Text PDFJ Phys Chem A
December 2020
Departamento de Física y Química Teórica, Facultad de Química, Universidad Nacional Autónoma de México, Ciudad de México 04510, México.
The chemical activation of the carbon monoxide (CO) molecule on the surface of iron clusters Fe ( = 1-20) is studied in this work. By means of density functional theory (DFT) all-electron calculations, we have found that the adsorption of CO over the bare magnetic Fe ( = 1-20) clusters is thermochemically favorable. The Fe-CO interaction increases the C-O bond length, from 1.
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