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Issue 18, 2010
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Oxidization states of metal atoms in linear bimetallic multi-sandwich molecules Vn(FeCp2)(n+1) and magnetic moment enhancement mechanism of its 1D wire

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Abstract

Using density functional theory calculations, we demonstrate that one-dimensional bimetallic molecular ferromagnets (FeCpMCp) (M = Sc, Ti, V, Cr and Mn, Cp = cyclopentadienyl) exhibit significant enhancement in local and global atomic magnetic moments as well as relatively large spin-polarization energy as compared to their monometallic counterparts. These yield an unusual charge configuration for one of the wires: (Fe0Cp−1V+2Cp−1). Hückel's rule and double-exchange interaction model are used to illustrate the details of local charge transfer and long-range ferromagnetic order. We then propose a growth mechanism for Vn(FeCp2)(n+1) (n = 1–4) clusters, which is supported unambiguously with time-of-flight mass spectroscopy data.

Graphical abstract: Oxidization states of metal atoms in linear bimetallic multi-sandwich molecules Vn(FeCp2)(n+1) and magnetic moment enhancement mechanism of its 1D wire

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Article information


Submitted
24 Dec 2009
Accepted
24 Feb 2010
First published
15 Mar 2010

Phys. Chem. Chem. Phys., 2010,12, 4555-4559
Article type
Communication

Oxidization states of metal atoms in linear bimetallic multi-sandwich molecules Vn(FeCp2)(n+1) and magnetic moment enhancement mechanism of its 1D wire

L. Shen, H. Jin, V. Ligatchev, S. Yang, M. B. Sullivan and Y. Feng, Phys. Chem. Chem. Phys., 2010, 12, 4555
DOI: 10.1039/B927272K

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