N-heterocyclic germylenes: structural characterisation of some heavy analogues of the ubiquitous N-heterocyclic carbenes

The X-ray crystal structures of three N-heterocyclic germylenes (NHGes) have been elucidated including the previously unknown 1,3-bis(2,6-dimethylphenyl)diazagermol-2-ylidene (1). In addition, the X-ray crystal structures of the previously synthesised 1,3-bis(2,4,6-trimethylphenyl)diazagermol-2-ylidene (2) and 1,3-bis(2,6-diisopropylphenyl)diazagermol-2-ylidene (3) are also reported. The discrete molecular structures of compounds 1 to 3 are comparable, with Ge-N bond lengths in the range 1.835-1.875 Å, while the N-Ge-N bond angles range between 83.6 and 85.2°. Compound 2 was compared to the analogous N-heterocyclic carbene species, 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene (IMes). The major geometrical difference observed, as expected, was the bond angle around the divalent group 14 atom. The N-Ge-N bond angle was 83.6° for compound 2 versus the N-C-N bond angle of 101.4° for IMes. The Sn equivalent of (1), 1,3-bis(2,6-dimethylphenyl)diazastannol-2-ylidene (4), has also been synthesised and its crystal structure is reported here. In order to test their suitability as ligands, compounds 1 to 3 were reacted with a wide range of transition metal complexes. No NHGes containing metal complexes were observed. In all cases the NHGe either degraded or gave no reaction

Barrier formation at metal/organic interfaces: dipole formation and the Charge Neutrality Level

The barrier formation for metal/organic semiconductor interfaces is analyzed within the Induced Density of Interface States (IDIS) model. Using weak chemisorption theory, we calculate the induced density of states in the organic energy gap and show that it is high enough to control the barrier formation. We calculate the Charge Neutrality Levels of several organic molecules (PTCDA, PTCBI and CBP) and the interface Fermi level for their contact with a Au(111) surface. We find an excellent agreement with the experimental evidence and conclude that the barrier formation is due to the charge transfer between the metal and the states induced in the organic energy gap.Comment: 7 pages, Proceedings of ICFSI-9, Madrid, Spain (September 2003), special issue of Applied Surface Science (in press

The Dynamic Formation of Prominence Condensations

We present simulations of a model for the formation of a prominence condensation in a coronal loop. The key idea behind the model is that the spatial localization of loop heating near the chromosphere leads to a catastrophic cooling in the corona (Antiochos & Klimchuk 1991). Using a new adaptive grid code, we simulate the complete growth of a condensation, and find that after approx. 5,000 s it reaches a quasi-steady state. We show that the size and the growth time of the condensation are in good agreement with data, and discuss the implications of the model for coronal heating and SOHO/TRACE observations.Comment: Astrophysical Journal latex file, 20 pages, 7 b-w figures (gif files

Hospital Community Benefits After the ACA: The Emerging Federal Framework

Outlines the federal framework on requirements for hospitals to provide community benefit activities in exchange for tax-exempt status under the 2010 healthcare reform, including community health needs assessments; state policy options; and challenges

Noise storm continua: power estimates for electron acceleration

We use a generic stochastic acceleration formalism to examine the power $L_{\rm in}$ (${\rm erg s^{-1}}$) input to nonthermal electrons that cause noise storm continuum emission. The analytical approach includes the derivation of the Green's function for a general second-order Fermi process, and its application to obtain the particular solution for the nonthermal electron distribution resulting from the acceleration of a Maxwellian source in the corona. We compare $L_{\rm in}$ with the power $L_{\rm out}$ observed in noise storm radiation. Using typical values for the various parameters, we find that $L_{\rm in} \sim 10^{23-26}$ ${\rm erg s^{-1}}$, yielding an efficiency estimate $\eta \equiv L_{\rm out}/L_{\rm in}$ in the range 10^{-10} \lsim \eta \lsim 10^{-6} for this nonthermal acceleration/radiation process. These results reflect the efficiency of the overall process, starting from electron acceleration and culminating in the observed noise storm emission.Comment: Accepted for publication in Solar Physic

The Politics of Commerce : The Congress of Chambers of Commerce of the Empire, 1886-1914

Peer reviewedPublisher PD

Women and Illegal Activities: Gender Differences and Women's Willingness to Comply Over Time

In recent years the topics of illegal activities such as corruption or tax evasion have attracted a great deal of attention. However, there is still a lack of substantial empirical evidence about the determinants of compliance. The aim of this paper is to investigate empirically whether women are more willing to be compliant than men and whether we observe (among women and in general) differences in attitudes among similar age groups in different time periods (cohort effect) or changing attitudes of the same cohorts over time (age effect) using data from eight Western European countries from the World Values Survey and the European Values Survey that span the period from 1981 to 1999. The results reveal higher willingness to comply among women and an age rather than a cohort effect. Working Paper 06-5

Extending critical performativity

In this article we extend the debate about critical performativity. We begin by outlining the basic tenets of critical performativity and how this has been applied in the study of management and organization. We then address recent critiques of critical performance. We note these arguments suffer from an undue focus on intra-academic debates; engage in author-itarian theoretical policing; feign relevance through symbolic radicalism; and repackage common sense. We take these critiques as an opportunity to offer an extended model of critical performativity that involves focusing on issues of public importance; engaging with non-academic groups using dialectical reasoning; scaling up insights through movement building; and propagating deliberation

Electronic and structural properties of vacancies on and below the GaP(110) surface

We have performed total-energy density-functional calculations using first-principles pseudopotentials to determine the atomic and electronic structure of neutral surface and subsurface vacancies at the GaP(110) surface. The cation as well as the anion surface vacancy show a pronounced inward relaxation of the three nearest neighbor atoms towards the vacancy while the surface point-group symmetry is maintained. For both types of vacancies we find a singly occupied level at mid gap. Subsurface vacancies below the second layer display essentially the same properties as bulk defects. Our results for vacancies in the second layer show features not observed for either surface or bulk vacancies: Large relaxations occur and both defects are unstable against the formation of antisite vacancy complexes. Simulating scanning tunneling microscope pictures of the different vacancies we find excellent agreement with experimental data for the surface vacancies and predict the signatures of subsurface vacancies.Comment: 10 pages, 6 figures, Submitted to Phys. Rev. B, Other related publications can be found at http://www.rz-berlin.mpg.de/th/paper.htm

The staircase method: integrals for periodic reductions of integrable lattice equations

We show, in full generality, that the staircase method provides integrals for mappings, and correspondences, obtained as traveling wave reductions of (systems of) integrable partial difference equations. We apply the staircase method to a variety of equations, including the Korteweg-De Vries equation, the five-point Bruschi-Calogero-Droghei equation, the QD-algorithm, and the Boussinesq system. We show that, in all these cases, if the staircase method provides r integrals for an n-dimensional mapping, with 2r<n, then one can introduce q<= 2r variables, which reduce the dimension of the mapping from n to q. These dimension-reducing variables are obtained as joint invariants of k-symmetries of the mappings. Our results support the idea that often the staircase method provides sufficiently many integrals for the periodic reductions of integrable lattice equations to be completely integrable. We also study reductions on other quad-graphs than the regular 2D lattice, and we prove linear growth of the multi-valuedness of iterates of high-dimensional correspondences obtained as reductions of the QD-algorithm.Comment: 40 pages, 23 Figure