Please use this identifier to cite or link to this item: https://doi.org/10.1039/b927272k
Title: Oxidization states of metal atoms in linear bimetallic multi-sandwich molecules Vn(FeCp2)(n+1) and magnetic moment enhancement mechanism of its 1D wire
Authors: Shen, L. 
Jin, H.
Ligatchev, V.
Yang, S.-W.
Sullivan, M.B.
Feng, Y. 
Issue Date: 2010
Source: Shen, L., Jin, H., Ligatchev, V., Yang, S.-W., Sullivan, M.B., Feng, Y. (2010). Oxidization states of metal atoms in linear bimetallic multi-sandwich molecules Vn(FeCp2)(n+1) and magnetic moment enhancement mechanism of its 1D wire. Physical Chemistry Chemical Physics 12 (18) : 4555-4559. ScholarBank@NUS Repository. https://doi.org/10.1039/b927272k
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: (Fe 0Cp-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. © the Owner Societies.
Source Title: Physical Chemistry Chemical Physics
URI: http://scholarbank.nus.edu.sg/handle/10635/97482
ISSN: 14639076
DOI: 10.1039/b927272k
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

SCOPUSTM   
Citations

14
checked on Jan 16, 2018

WEB OF SCIENCETM
Citations

15
checked on Jan 16, 2018

Page view(s)

19
checked on Jan 12, 2018

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.