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https://doi.org/10.1039/b927272k
DC Field | Value | |
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dc.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 | |
dc.contributor.author | Shen, L. | |
dc.contributor.author | Jin, H. | |
dc.contributor.author | Ligatchev, V. | |
dc.contributor.author | Yang, S.-W. | |
dc.contributor.author | Sullivan, M.B. | |
dc.contributor.author | Feng, Y. | |
dc.date.accessioned | 2014-10-16T09:35:47Z | |
dc.date.available | 2014-10-16T09:35:47Z | |
dc.date.issued | 2010 | |
dc.identifier.citation | 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 | |
dc.identifier.issn | 14639076 | |
dc.identifier.uri | http://scholarbank.nus.edu.sg/handle/10635/97482 | |
dc.description.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. | |
dc.description.uri | http://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1039/b927272k | |
dc.source | Scopus | |
dc.type | Article | |
dc.contributor.department | PHYSICS | |
dc.description.doi | 10.1039/b927272k | |
dc.description.sourcetitle | Physical Chemistry Chemical Physics | |
dc.description.volume | 12 | |
dc.description.issue | 18 | |
dc.description.page | 4555-4559 | |
dc.description.coden | PPCPF | |
dc.identifier.isiut | 000277153800003 | |
Appears in Collections: | Staff Publications |
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