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2 results on '"rocis method"'

1. Stabilization of high-spin Mn ions in tetra-pyrrolic configuration on copper.

Author

Carlotto, Silvia, Fuhr, Javier D., Cossaro, Albano, Verdini, Alberto, Casarin, Maurizio, Lingenfelder, Magalí, Gayone, Julio E., Floreano, Luca, and Ascolani, Hugo

Subjects
*COPPER, *X-ray absorption, *IONS, *X-ray spectroscopy, *ELECTRONIC structure, *ZINC porphyrins
Abstract

[Display omitted] • Mn trapping in tetra-pyrrolic coordination to TCNQ on Sn/Cu(100). • Mn-TCNQ high spin state unequivocally disclosed by Mn L2,3 NEXAFS. • Sn alloying on Cu(100) electronically decouples Mn-TCNQ metal-organic network. By means of Mn-Cu transmetalation, we incorporated Mn atoms in an array of TCNQ (7,7,8,8-tetracyanoquinodimethane) grown on Cu(100), forming a long range ordered and commensurate metal–organic coordination network (MOCN). Preliminary Sn alloying of the Cu(100) surface allowed us to control the degree of substrate reactivity, thus preventing the chemical interaction of the Mn-TCNQ MOCN with the substrate. Mn 2 + ions are stabilized in an artificial tetra-pyrrolic coordination, which mimics the macrocyle configuration of Mn-phthalocyanines/porphyrins. X-ray absorption spectroscopy at the Mn L 2 , 3 -edge indicates that the Mn ions are in a high-spin state (S = 5/2), in agreement with DFT + U calculations which also shows that the electronic structure of this Mn-TCNQ MOCN is very similar to that of the corresponding unsupported MOCN. [ABSTRACT FROM AUTHOR]

Published
2021
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2. Stabilization of high-spin Mn ions in tetra-pyrrolic configuration on copper

Author

Luca Floreano, J. E. Gayone, J. D. Fuhr, Albano Cossaro, Magalí Lingenfelder, Alberto Verdini, Silvia Carlotto, Maurizio Casarin, Hugo Ascolani, Carlotto, S., Fuhr, J. D., Cossaro, A., Verdini, A., Casarin, M., Lingenfelder, M., Gayone, J. E., Floreano, L., and Ascolani, H.

Subjects
basis-sets, Materials science, Absorption spectroscopy, high spin mn, General Physics and Astronomy, chemistry.chemical_element, metal-organic networks, 02 engineering and technology, Electronic structure, 010402 general chemistry, 01 natural sciences, electronic-properties, NEXAFS, chemistry.chemical_compound, Transmetalation, High spin Mn, Mn-TCNQ network, ROCIS method, Sn-Cu alloying, x-ray-absorption, Reactivity (chemistry), rocis method, sn-cu alloying, complexes, nexafs, exchange, Substrate (chemistry), mn-tcnq network, transition, Surfaces and Interfaces, General Chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Copper, XANES, 0104 chemical sciences, Surfaces, Coatings and Films, Crystallography, phthalocyanine, chemistry, Phthalocyanine, 0210 nano-technology
Abstract

By means of Mn-Cu transmetalation, we incorporated Mn atoms in an array of TCNQ (7,7,8,8-tetracyanoquinodimethane) grown on Cu(100), forming a long range ordered and commensurate metal–organic coordination network (MOCN). Preliminary Sn alloying of the Cu(100) surface allowed us to control the degree of substrate reactivity, thus preventing the chemical interaction of the Mn-TCNQ MOCN with the substrate. Mn 2 + ions are stabilized in an artificial tetra-pyrrolic coordination, which mimics the macrocyle configuration of Mn-phthalocyanines/porphyrins. X-ray absorption spectroscopy at the Mn L 2 , 3 -edge indicates that the Mn ions are in a high-spin state (S = 5/2), in agreement with DFT + U calculations which also shows that the electronic structure of this Mn-TCNQ MOCN is very similar to that of the corresponding unsupported MOCN.

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