Issue 21, 2019
From the journal:

Physical Chemistry Chemical Physics

A first peek into sub-picosecond dynamics of spin energy levels in magnetic biomolecules†

Lorena E. Rosaleny, ORCID logo ab   Kirill Zinovjev, ORCID logo a   Iñaki Tuñón ORCID logo a  and  Alejandro Gaita-Ariño*b  

* Corresponding authors

a Departament de Química Física, Universitat de València, 46100 Burjassot, Spain
E-mail: gaita@uv.es

b Instituto de Ciencia Molecular, Universitat de València, 46980 Paterna, Spain

Abstract

We estimate the time- and temperature-evolution of spin energy levels in a metallopeptide by combining molecular dynamics with crystal field analysis. Fluctuations of tens of cm−1 for spin energy levels at fs times gradually average out at longer times. We confirm that local vibrations are key in spin dynamics.

Graphical abstract: A first peek into sub-picosecond dynamics of spin energy levels in magnetic biomolecules

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Article information

DOI
https://doi.org/10.1039/C9CP01909J
Article type
Paper
Submitted
05 Apr 2019
Accepted
01 May 2019
First published
02 May 2019

Phys. Chem. Chem. Phys., 2019,21, 10908-10913

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A first peek into sub-picosecond dynamics of spin energy levels in magnetic biomolecules

L. E. Rosaleny, K. Zinovjev, I. Tuñón and A. Gaita-Ariño, Phys. Chem. Chem. Phys., 2019, 21, 10908 DOI: 10.1039/C9CP01909J

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