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CRUZ HERNANDEZ , Norge

Last name: CRUZ HERNANDEZ

First name: Norge

January 17, 2024 (v1)

Publication

Metadata-only

Light-induced spin transitions in copper-nitroxide-based switchable molecular magnets: insights from periodic DFT+U calculations

Sánchez de Armas, María Rocío Cruz Hernandez, Norge Jiménez Calzado, Carmen

The electronic structure and magnetic interactions of three representative members of the breathing crystal Cu(hfac)2LR family, mainly Cu(hfac)2LPr (1), Cu(hfac)2LBu·0.5C8H18 (2) and Cu(hfac)2LBu·0.5C8H10 (3), have been analyzed by means of periodic plane-wave based DFT+U calculations. These copper(II)-nitroxide based molecular magnets display...

Uploaded on: January 19, 2024