By Mark M. Turnbull, Toyonari Sugimoto, Lawrence K. Thompson
content material: Molecule-based magnets : an creation / Joel S. Miller and Arthur J. Epstein --
alternate interplay of natural spin platforms / Y. Teki and okay. Itoh --
Theoretical ways to molecular magnetism / T. Kawakami ... [et al.] --
Magnetic-susceptibility size strategies / Charles J. O'Connor --
Superconducting quantum interference gadget stories in molecule-based magnetism / Pamela A. Salyer and Leonard W. ter Haar --
non-stop wave and Fourier rework pulsed electron magnetic resonance spectroscopy in organic-molecular magnetism : idea and purposes / T. Takui ... [et al.] --
Heat-capacity calorimetry of molecule-based magnetic fabrics / Michio Sorai --
Use of Mössbauer influence spectroscopy within the research of the low-dimensionality magnetism and long-range order of magnetic platforms of up to date curiosity / William M. Reiff --
layout, synthesis, and characterization of [pi]-cross-conjugated polycarbenes with high-spin flooring states / Kenji Matsuda ... [et al.] --
starting place of superparamagnetic-like habit in huge molecular clusters / D. Gatteschi and R. Sessoli --
Magnetostructural correlations in dinuclear Cu(II) and Ni(II) complexes bridged by means of [mu]₂-1,1-azide and [mu]₂-phenoxide / L.K. Thompson ... [et al.] --
The azido ligand : an invaluable bridge for designing high-dimensional magnetic structures / R. Cortés ... [et al.] --
Molecular magnetic fabrics and small clusters containing N-donor chelated steel species mixed with hexacyanometallate, tris-oxalatometallate, and similar bridging teams / K.S. Murray --
layout of organic-based fabrics with managed magnetic propoerties / Paul M. Lahti --
development towards "conditional" magnetic fabrics : magnetic houses of (m-pyridyl nitronyl nitroxide)₂HBr and Cu₂(OH)₃ (alkylcarboxylate) / Kunio Awaga --
Intrachain ferromagnetic spin alignment in [pi]-conjugated polyradicals with a poly(phenylenevinylene) chain / HIroyuki Nishide --
Very excessive spin polyradicals / Andrzej Rajca --
meeting of imino nitroxides with Cu(I) halides / H. Oshio and T. Ito --
Weak-ferromagnetism and ferromagnetism in tetrafluorotetracyanoquinodimethanide salts / Toyonari Sugimoto ... [et al.] --
Spin transition molecular fabrics for demonstrate and knowledge processing / Oliver Kahn ... [et al.] --
stronger synthesis of the V(tetracyanoethylene)[subscript x]·y(solvent) room-temperature magnet : doubling of the magnetization at room temperature / Jie Zhang ... [et al.] --
layout and magnetism of recent bimetallic assemblies with Fe(III)-CN-Ni(II) linkages / Hisashi Okawa and Masaaki Ohba.
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Additional resources for Molecule-Based Magnetic Materials. Theory, Techniques, and Applications
Okumura, H . Nagao and K. Yamaguchi, ibid. 233, 88 (1995) (c) S. Yamanaka, T. Kawakami, M. Okumura and K . Yamaguchi, ibid. 233, 257 (1995). (a) K. Yamaguchi, K. Ohta, S. Yabushita and T. Fueno Chem. Phys. Lett. 49, 555 (1977); (b) K . Yamaguchi and T. Fueno, Chem. Phys. 23, 375 (1977); (c) K. Yamaguchi, S. Yabushita, T. Fueno, S. Kato, K. Morokuma and S. Iwata, Chem. Phys. Lett. 71, 563 (1980); (d) K. Yamaguchi, Int. J. Quant. Chem. S14, 269 (1980). K . Andersson, P. Malqvist, B . O. Roos, A .
Ch003 3. KAWAKAMI ET AL. Theoretical Approaches to Molecular Magnetism As part of a continuing theoretical study of instability in chemical bonds (7), we wish to explore the levels of theories which provide the sign and magnitude of values in Eq. 1 at least in a semiquantitative manner so as to allow derivation of selection rules for spin alignments in organic crystals. To this end, both spin-restricted and spinunrestricted post Hartree-Fock methods have been examined numerically in relation to the first principle computations of values in typical cases.
S =o S=2 4J ex ex S=2 S=0 (3,4') (3,3'), (4,4') , A B /ij in equations (9) - (11). According to equation (10), the effective exchange interaction J x is given by the superexchange parameter times the spin density product between the two carbon sites i and 1 which are connected with each other by the oxygen bridge. Therefore, the product of the spin densities at the bridging positions determines the sign of the effective superexchange interaction J x- Since the spin densities at the 3- and 4-positions have the opposite sign to each other, P 3 V 4 is negative, whereas P 3 A p 3 ' and P4Ap4«B ^ positive.