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

Literature Information

Publication Date 2010-03-15
DOI 10.1039/B927272K
Impact Factor 3.676
Authors

Hongmei Jin, Valeri Ligatchev, Shuo-Wang Yang, Michael B. Sullivan, Yuanping Feng


View Original

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.

Related Literature

Front cover

Cover

DOI: 10.1039/C4CP90070G

AFM study of oxygen reduction products on HOPG in the LiPF6–DMSO electrolyte

Santiago E. Herrera, Alvaro Y. Tesio, Romain Clarenc, Ernesto J. Calvo

2013-12-18 Paper

DOI: 10.1039/C3CP54621G

Flow dependent performance of microfluidic microbial fuel cells

Daniele Vigolo, Talal T. Al-Housseiny, Yi Shen, Fiyinfoluwa O. Akinlawon, Saif T. Al-Housseiny, Ronald K. Hobson, Amaresh Sahu, Katherine I. Bedkowski, Thomas J. DiChristina, Howard A. Stone

2014-05-08 Paper

DOI: 10.1039/C4CP01086H

Selective oxidation of alcohols in aqueous suspensions of rhodium ion-modified TiO2 photocatalysts under irradiation of visible light

Sho Kitano, Atsuhiro Tanaka, Keiji Hashimoto, Hiroshi Kominami

2014-05-08 Paper

DOI: 10.1039/C4CP00863D

Spiropyran as a reusable chemosensor for selective colorimetric detection of aromatic thiols

Yasuhiro Shiraishi, Kohei Yamamoto, Shigehiro Sumiya, Takayuki Hirai

2014-02-19 Paper

DOI: 10.1039/C3CP55478C

Carbon dioxide interaction with isolated imidazole or attached on gold clusters and surface: competition between σ H-bond and π stacking interaction

Muthuramalingam Prakash, Kévin Mathivon, David M. Benoit, Gilberte Chambaud, Majdi Hochlaf

2014-05-07 Paper

DOI: 10.1039/C4CP01292E

Synergistic contributions by decreasing overpotential and enhancing charge-transfer in α-Fe2O3/Mn3O4/graphene catalysts with heterostructures for photocatalytic water oxidation

Shunli Yin, Xiaomei Wang, Zhigang Mou, Yijie Wu, Hui Huang, Mingshan Zhu, Yukou Du, Ping Yang

2014-03-11 Paper

DOI: 10.1039/C4CP00384E

Confined H2O molecules as local probes of pressure-induced amorphisation in faujasite

Frederico Alabarse, Claire Levelut, Aude Isambert, Philippe Hébert, Shinji Kohara, David Maurin, Jean-Louis Bantignies, Olivier Cambon, Gaëlle Creff, Pascale Roy, Jean-Blaise Brubach, Tahar Hammouda, Denis Andrault, Julien Haines

2014-04-28 Paper

DOI: 10.1039/C4CP00186A

Water oxidation by manganese oxides formed from tetranuclear precursor complexes: the influence of phosphate on structure and activity

Denys Shevchenko, Magnus F. Anderlund, Stenbjörn Styring, Holger Dau, Ivelina Zaharieva, Anders Thapper

2014-02-28 Paper

DOI: 10.1039/C3CP55125C

You might also like

Compound Q&A

What precautions should be taken when handling 2-Chloro-1,2-bis(4-methylphenyl)ethanone (CAS: 71193-32-3)?

When handling 2-Chloro-1,2-bis(4-methylphenyl)ethanone (CAS: 71193-32-3), it is ...

71193-32-32-Chloro-1,2-bis(4-m...
Compound Q&A

What industries use 4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonyl chloride (CAS: 224789-26-8)?

4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl...

224789-26-84-Ethoxy-3-(5-methyl...
Compound Q&A

How should Methyl 3-Oxo-4-Androsten-17-Carboxylate (CAS: 2681-55-2) be stored?

Methyl 3-Oxo-4-Androsten-17-Carboxylate (CAS: 2681-55-2) should be stored in a c...

2681-55-2Methyl 3-Oxo-4-Andro...
Compound Q&A

What are the main uses of (R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid (CAS: 909725-61-7)?

(R)-3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid is primarily used i...

909725-61-7(R)-3-Amino-4-(3-hex...
Compound Q&A

What regulatory guidelines apply to 2-Methyl-2-propanyl 3-amino-3-carbamoyl-1-azetidinecarboxylate (CAS: 1254120-14-3)?

2-Methyl-2-propanyl 3-amino-3-carbamoyl-1-azetidinecarboxylate (CAS: 1254120-14-...

1254120-14-32-Methyl-2-propanyl ...
Compound Q&A

Are there alternatives to (E)-4-(tert-Butoxy)-4-oxobut-2-enoic acid (CAS: 135355-96-3) in synthesis?

There are alternative reagents that can be used in synthesis instead of (E)-4-(t...

135355-96-3(E)-4-(tert-Butoxy)-...
Compound Q&A

What are the physical and chemical properties of [2-(3-Chlorophenyl)-1,3-thiazol-4-yl]methanol (CAS: 121202-20-8)?

[2-(3-Chlorophenyl)-1,3-thiazol-4-yl]methanol (CAS: 121202-20-8) is a crystallin...

121202-20-8[2-(3-Chlorophenyl)-...
166249-17-8Methyl (2S)-[(4S)-2,...
Compound Q&A

What is the market or research trend for 1-Bromo-2-isocyanatoethane (CAS: 42865-19-0)?

The market for 1-Bromo-2-isocyanatoethane (CAS: 42865-19-0) is driven by its use...

42865-19-01-Bromo-2-isocyanato...
Compound Q&A

What are the main uses of 4-Nitro-D-phenylalanine hydrochloride (CAS: 147065-06-3)?

4-Nitro-D-phenylalanine hydrochloride (CAS: 147065-06-3) is primarily used in re...

147065-06-34-Nitro-D-phenylalan...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.