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MONTENEGRO-POHLHAMMER , Nicolás

Last name: MONTENEGRO-POHLHAMMER

First name: Nicolás

January 18, 2024 (v1)

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The deposition of the spin crossover Fe(II)-pyrazolylborate complex on Au(111) surface at molecular level

Montenegro-Pohlhammer, Nicolás Sánchez de Armas, María Rocío Jiménez Calzado, Carmen

The interaction at molecular level of the spin-crossover FeII((3,5-(CH3)2Pz)3BH)2 complex with the Au(111) surface is analyzed by means of rPBE periodic calculations. Our results show that the adsorption on the metallic surface enhances the transition energy, increasing the relative stability of the low spin (LS) state. The interaction indeed...

Uploaded on: January 20, 2024