The Journal of Physical ChemistryB, 113, 15067-15073 (2009)Journal of Computational Chemistry |
Journal of Chemical Physics131, 031101 (2009) We present here the results of time-resolved absorption and emission experiments for |
Bidirectional Chemo-switching of Spin State in a Microporous FrameworkAngew. Chem. Int. Ed., 2009, 48, 4767-4771 M. Ohba, K. Yoneda, G. Agusti, M. C. Muñoz, A. B. Gaspar, J. A. Real, M. Yamasaki, H. Ando, Y. Nakao, S. Sakaki, S. Kitagawa Using the microporous coordination polymer {Fe(pz)[Pt(CN)4]} (1, pz=pyrazine), incorporating spin-crossover subunits, two-directional magnetic chemo-switching is achieved at room temperature. In situ magnetic measurements following guest vapor injection show that most guest molecules transform 1 from the low-spin (LS) state to the high-spin (HS) state, whereas CS2 uniquely causes the reverse HS-to-LS transition |
One-dimensional iron(II) compounds exhibiting spin crossover and liquid crystalline properties in the room temperature regionInorg. Chem., 2008, 47, 10232-10245 M. Seredyuk, A. B. Gaspar, V. Ksenofontov, Y. Galyametdinov, M. Verdaguer, F. Villain, P. Gütlich A novel series of 1D triazole-based Fe(II) metallomesogens have been synthesized. The long chain derivatives exhibit spin transition coexisting with the mesomorphic behavior in the room-temperature region. This is a new example of a system where the phase transition g ? Colh directly influences the spin transition of the Fe(II) ions. |
The Royal Society of Chemistry 2008Number 21 | 7 June 2008 |
The Royal Society of Chemistry 2008Number 12 | 28 March 2008 |
Long-Living Light-Emitting Electrochemical Cells – Control through Supramolecular Interactions
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A Combined Top-Down/Bottom-Up Approach for the Nanoscale Patterning of Spin-Crossover Coordination PolymersAdv. Mater., 2007, 19, 2163-2167 |
Nanoscale Deposition of Single-Molecule Magnets onto SiO2 PatternsAdv. Materials, 2007, 19, 291-295 2 Instituto de Ciencia Molecular (ICMol), Universidad de Valencia, PO Box 22085, 46071 Valencia, Spain |
Spin qubits with electrically gated polyoxometalate moleculesNature nanotechnology 2007, 2, 257-323 J. Lehmann 1, A. Gaita-Ari-o 1,2, E. Coronado 2, D. Loss 1 2 Institutode CienciaMolecular, Universitat de Valencia, Polígono de LaComa, s/n, E-46980 Paterna, Spain |
The Institute of Molecular Science, A Nanotechnology LeaderYear I Issue n. 1 |
Multilayer Sequential Assembly of Thin Films That Display Room Temperature Spin Crossover with HysteresisAngew. Chem. Int. Ed., 2006, 45, 5786-5789 S. Cobo, G. Molnár, J. A. Real, A. Bousseksou Thin films of [Fe(pyrazine)M(CN)4] (M=Ni, Pd, or Pt) coordination polymers were assembled sequentially through coordinate bonding on gold surfaces (see scheme). These multilayers exhibit spin-crossover phenomena with hysteresis at room temperature. |
Understanding the Ring Current Effects on Magnetic Shielding of Hydrogen and Carbon Nuclei in Naphthalene and Anthracene
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Variation of polarizability in the [4n+2] annulene series: from [22]- to [66]-annulene
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Multifunctionality in hybrid magnetic materials based on bimetallicDOI: 10.1039/c0cs00111b |
Beyond the spin model: exchange coupling in molecular magnets with unquenched orbital angular momentaDOI: 10.1039/c0cs00175a |
Solid-State Dinuclear-to-Trinuclear Conversion in an Oxalato-Bridged Chromium(III)-Cobalt(II) Complex as a New Route toward Single-Molecule Magnets
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Slow Relaxation of the Magnetization in Oximato-Bridged Heterobimetallic Copper(II)-Manganese(III) Chains
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Synthesis, crystal structure and magnetic properties of an oxalato-bridged ReIVMoVI heterobimetallic complexDOI: 10.1039/c0dt01323d |
Oligo-m-phenyleneoxalamide Copper(II) Mesocates as Electro-Switchable Ferromagnetic Metal–Organic Wires
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Inorganic Materials and Ionic Liquids: Large-scale Nanopatterning of Single Proteins used as Carriers of Magnetic Nanoparticles (Adv. Mater. 5/2010) (p NA)DOI: 10.1002/adma.201090008 The authors demonstrate large-scale patterning of single ferritin molecules by sequential (atomic force microscopy local oxidation) and parallel approaches (lithographically controlled wetting). The nanopattern size matches the size of the protein ( |
10 nm). Electrostatic interactions, capillary forces, surface functionalization, and nanolithography are used to achieve the desired protein organization.Electrostatic Anchoring of Mn4 Single-Molecule Magnets onto Chemically Modified Multiwalled Carbon Nanotubes
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Journal of Computational Chemistry31, 224-247 (2010) Some of the new unique features of the MOLCAS quantum chemistry package version 7 are presented in this report. In particular, the Cholesky decomposition method applied to some quantum chemical methods is described. The report further elaborates on the implementation of a restrictive-active space self-consistent field reference function in conjunction with 2nd order perturbation theory. The average atomic natural orbital basis for relativistic calculations, covering the whole periodic table, are describe and associated unique properties are demonstrated. Furthermore, the use of the arbitrary order Douglas-Kroll-Hess transformation for one-component relativistic calculations and its implementation is discussed. Moreover, the ElectroStatic Potential Fitted scheme, a version of a quantum mechanics/molecular mechanics hybrid method implemented in MOLCAS, is described and discussed. Finally, the report discusses the use of the MOLCAS package for advanced studies of photo chemical phenomenon and the usefulness of the algorithms for constrained geometry optimization in MOLCAS in association with such studies. |
A Symmetry Adapted Approach to the Dynamic Jahn-Teller Problem: Application to Mixed-Valence Polyoxometalate Clusters with Keggin StructureyDOI: 10.1002/qua.24152 |
Electronic and Magnetic Study of Polycationic Mn12 Single-Molecule Magnets with a Ground Spin State S = 1January 18, 2010: Vol. 49, Iss. 2 |
