The Role of Radical Bridges in Polynuclear Single-Molecule Magnets

Employing radical bridges between anisotropic metal ions has been a viable route to achieve high-performance single-molecule magnets (SMMs). While the bridges have been mainly considered for their ability to promote exchange interactions, the crystal-field effect arising from them has not been taken into account explicitly. This lack of consideration may distort the understanding and limit the development of the entire family. To shed light on this aspect, herein we report a theoretical investigation of a series of N -radical-bridged diterbium complexes. It is found that while promoting strong exchange coupling between the terbium ions, the N -radical induces a crystal field that interferes destructively with that of the outer ligands, and thus reduces the overall SMM behavior. Based on the theoretical results, we conclude that the SMM behavior in this series could be further maximized if the crystal field of the outer ligands is designed to be collinear with that of the radical bridge. This conclusion can be generalized to all exchange-coupled SMMs.     

Nanostructured thermoset epoxy resin templated by an amphiphilic poly(ethylene oxide)‐block‐poly(dimethylsiloxane) diblock copolymer

An amphiphilic poly(ethylene oxide)‐block‐poly(dimethylsiloxane) (PEO–PDMS) diblock copolymer was used to template a bisphenol A type epoxy resin (ER); nanostructured thermoset blends of ER and PEO–PDMS were prepared with 4,4′‐methylenedianiline (MDA) as the curing agent. The phase behavior, crystallization, hydrogen‐bonding interactions, and nanoscale structures were investigated with differential scanning calorimetry, Fourier transform infrared spectroscopy, transmission electron microscopy, and small‐angle X‐ray scattering. The uncured ER was miscible with the poly(ethylene oxide) block of PEO–PDMS, and the uncured blends were not macroscopically phase‐separated. Macroscopic phase separation took place in the MDA‐cured ER/PEO–PDMS blends containing 60–80 wt % PEO–PDMS diblock copolymer. However, the composition‐dependent nanostructures were formed in the cured blends with 10–50 wt % PEO–PDMS, which did not show macroscopic phase separation. The poly(dimethylsiloxane) microdomains with sizes of 10–20 nm were dispersed in a continuous ER‐rich phase; the average distance between the neighboring microdomains was in the range of 20–50 nm. The miscibility between the cured ER and the poly(ethylene oxide) block of PEO–PDMS was ascribed to the favorable hydrogen‐bonding interaction. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 3042–3052, 2006     

Structures and stability of Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>C and Al<Subscript><Emphasis Type="Bold">7</Emphasis></Subscript>N clusters

We report results of the atomic and electronic structures of Al₇C cluster using ab initio molecular dynamics with ultrasoft pseudopotentials and generalized gradient approximation. The lowest energy structure is found to be the one in which carbon atom occupies an interstitial position in Al₇ cluster. The electronic structure shows that the recent observation [Chem. Phys. Lett. 316, 31 (2000)] of magic behavior of Al₇C^- cluster is due to a large highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) gap which makes Al₇C^- chemically inert. These results have further led us to the finding of a new neutral magic cluster Al₇N which has the same number of valence electrons as in Al₇C^- and a large HOMO-LUMO gap of 1.99 eV. Further, calculations have been carried out on (Al₇N)₂ to study interaction between magic clusters. Received 28 July 2001     

Wechselnde Bindungen in einem Zweikörpersystem mit trockener Reibung

Übersicht Betrachtet wird ein zwangserregtes Zweikörpersystem mit wechselnden Bindungen infolge trockener Reibung. Stationäre Bewegungen werden als Grenzfall instationärer Einschwingvorgänge berechnet. Abhängig von den Systemparametern ergeben sich drei typische Bewegungsformen. Ihnen entsprechen dauernde Haftzustände, wechselnde Haft-Gleitzustände oder dauernde Gleitzustände an der Berührfläche beider Körper.

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Intermittant constraints in a two-body-system with dry friction

Summary An externally excited two-body-system with intermittant constraints due to dry friction is considered. Stationary motions are calculated as limit cases of instationary transients. Depending on the parameters of the system, three typical modes are of interest. These correspond to permanent sticking, slipstick behaviour, or to permanent slipping in the contact surface of the bodies, respectively.

     

On completely irreducible operators

Let T be a bounded linear operator on Hilbert space H, M an invariant subspace of T. If there exists another invariant subspace N of T such that H = M + N and M ∩ N = 0, then M is said to be a completely reduced subspace of T. If T has a nontrivial completely reduced subspace, then T is said to be completely reducible; otherwise T is said to be completely irreducible. In the present paper we briefly sum up works on completely irreducible operators that have been done by the Functional Analysis Seminar of Jilin University in the past ten years and more. The paper contains four sections. In section 1 the background of completely irreducible operators is given in detail. Section 2 shows which operator in some well-known classes of operators, for example, weighted shifts, Toeplitz operators, etc., is completely irreducible. In section 3 it is proved that every bounded linear operator on the Hilbert space can be approximated by the finite direct sum of completely irreducible operators. It is clear that a completely irreducible operator is a rather suitable analogue of Jordan blocks in L(H), the set of all bounded linear operators on Hilbert space H. In section 4 several questions concerning completely irreducible operators are discussed and it is shown that some properties of completely irreducible operators are different from properties of unicellular operators. __________ Translated from Acta Sci. Nat. Univ. Jilin, 1992, (4): 20–29     

Singlet-Triplet Transition in Quantum Dots Confined by Triangular and Bowl-Like Potentials： the Effect of Electric Fields

We theoretically investigate the energy spectra of two-electron two-dimensional （2e 2D） quantum dots （QDs） confined by triangular potentials and bowl-like potentials in a magnetic field by exact diagonalization in the framework of effective mass theory. An in-plane electric field is found to contribute to the singlet-triplet transition of the ground state of the 2e 2D QDs confined by triangular or bowl-like potentials in a perpendicular magnetic field. The stronger the in-plane electric field, the smaller the magnetic field for the total spin of the ground states in the dot systems to change from S = 0 to S = 1. However, the influence of an in-plane electric field on the singlettriplet transition of the ground state of two electrons in a triangular QD modulated by a perpendicular magnetic field is quite small because the triangular potential just deviates from the harmonic potential well slightly. We find that the strength of the perpendicular magnetic field needed for the spin singlet-triplet transition of the ground state of the QD confined by a bowl-like potential is reduced drastically by applying an in-plane electric field.     

Patterns—a fundamental idea of mathematical thinking and learning

Taking advantage of patterns is typical of our everyday experience as well as our mathematical thinking and learning. For example a working day or a morning at school displays a certain structure, which can be described in terms of patterns. On the one hand regular structures give us the feeling of permanence and enable us to make predictions. On the other hand they also provide a chance to be creative and to vary common procedures. School students usually encounter patterns in math classes either as number patterns or geometric patterns. There are also patterns that teachers can find in analyzing the errors students make during their calculations (error patterns) as well as patterns that are inherent to mathematical problems. One could even go so far as to say that identifying and describing patterns is elementary for mathematics (cf. Devlin 2003). Practising good interacting with patterns supports not only the active learning of mathematics but also a deeper understanding of the world in general. Patterns can be explored, identified, extended, reproduced, compared, varied, represented, described and created. This paper provides some examples of pattern utilization and detailed analyses thereof. These ideas serve as “hooks” to encourage the good use of patterns to facilitate active learning processes in mathematics.     

Elliptic equations with BMO coefficients in Reifenberg domains

The inhomogeneous Dirichlet problems concerning divergence form elliptic equations are studied. Optimal regularity requirements on the coefficients and domains for the W^1,p theory, 1 < p < ∞, are obtained. The principal coefficients are supposed to be in the John‐Nirenberg space with small BMO seminorms. The domain is a Reifenberg domain. These conditions for the W^1,p theory not only weaken the requirements on the coefficients but also lead to a more general geometric condition on the domains. In fact, these domains might have fractal dimensions. © 2004 Wiley Periodicals, Inc.     

Crystallographic report: Bis{[diacetyl‐bis(2,6‐isopropylphenylimine)]nickel(I)(µ‐chloro)}

The first α‐diimine nickel(I) complex having a chloro bridge is reported. The centrosymmetric dinuclear structure of {[ArN?C(Me)C(Me)?NAr]NiCl}₂[Ar?2,6?C₆H₃(i‐Pr)₂] features two chelating α‐diimine ligands and two bridged chlorine atoms, so that a distorted tetrahedral N₂Cl₂ coordination geometry for nickel results. Copyright © 2004 John Wiley & Sons, Ltd.