Sub-Doppler and Doppler spectroscopy of DCN isotopomers in the terahertz region: ground and first excited bending states (v1v2v3)=(0 1 0)

The rotational spectra of the deuterium cyanide isotopic species DCN, D¹³CN, DC¹⁵N, and D¹³C¹⁵N were recorded in the vibrational ground and first excited bending state (v₂=1) up to 2 THz. The R-branch transitions from J=3←2 to J=13←12 were measured with sub-Doppler resolution. These very high resolution (∼70 kHz) and precise (±3-10 kHz) saturation dip measurements allowed for resolving the underlying hyperfine structure due to the ¹⁴N nucleus in DCN and D¹³CN for transitions as high as J=10←9. Additional high JR-branch (J=25←24 to J=28←27) transitions around 2 THz and direct l-type (ΔJ=0, J=19 to J=25) transitions from 66 to 118 GHz were recorded in Doppler-limited resolution. For the ground state of D¹³C¹⁵N, the J=1←0 transition was measured for the first time. The transition frequency accuracies for the other deuterated species were significantly improved. These new experimental data, together with the available infrared rovibrational data and previously measured direct l-type transitions, were subjected to a global least squares analysis for each isotopomer. This yielded precise sets of molecular constants for the ground and first excited vibrational states, including the nuclear quadrupole and magnetic spin-rotation coupling constants of the ¹⁴N nucleus for DCN and D¹³CN. The hyperfine structure due to the D, ¹³C, and ¹⁵N nuclei have not been resolved, but led to a broadening of the observed saturation dips.     

On interpolatory divergence-free wavelets

We construct interpolating divergence-free multiwavelets based on cubic Hermite splines. We give characterizations of the relevant function spaces and indicate their use for analyzing experimental data of incompressible flow fields. We also show that the standard interpolatory wavelets, based on the Deslauriers-Dubuc interpolatory scheme or on interpolatory splines, cannot be used to construct compactly supported divergence-free interpolatory wavelets.

     

HREM studies of the structure and the oxidation process of copper clusters created by inert gas aggregation

Structure and reactivity with oxigen of Cu clusters in the size range of 4.5±2.5 nm created by the inert gas aggregation technique were studied by HREM. The pure Cu clusters investigated under clean conditions show the structures of MTP's with a small lattice dilatation of the (111) plane of 1.25%. For icosahedral and decahedral particles this dilatation corresponds to a splitting of the nearest neighbour distance showing two different values, i.e. dilatation of 2.2% and contraction of 2.8% for the two edges of the deformed tetrahedral subunits, respectively. Oxidation at room temperature and air pressure of 1 bar only begins after a few minutes of exposure to air, after having undergone creation of probably non-stoichiometric intermediate states in the cuprite Cu₂O structure with the bulk values of the bond lengths.     

Separation in distributive congruence lattices

We define separable sets in algebraic lattices. For a finitely generated congruence distributive variety V \mathcal{V} , we show a close connection between non-separable sets in congruence lattices of algebras in V \mathcal{V} and the structure of subdirectly irreducible algebras in V \mathcal{V} . We apply the general results to some lattice varieties.     

Lower bounds of the Laplacian graph eigenvalues

In this paper we prove that all positive eigenvalues of the Laplacian of an arbitrary simple graph have some positive lower bounds. For a fixed integer k 1 we call a graph without isolated vertices k-minimal if its kth greatest Laplacian eigenvalue reaches this lower bound. We describe all 1-minimal and 2-minimal graphs and we prove that for every k 3 the path P_k+1 on k + 1 vertices is the unique k-minimal graph.     

Natural Operators Lifting Vector Fields to Bundles of Weil Contact Elements

Let A be a Weil algebra. The bijection between all natural operators lifting vector fields from m-manifolds to the bundle functor K ^A of Weil contact elements and the subalgebra of fixed elements SA of the Weil algebra A is determined and the bijection between all natural affinors on K ^A and SA is deduced. Furthermore, the rigidity of the functor K ^A is proved. Requisite results about the structure of SA are obtained by a purely algebraic approach, namely the existence of nontrivial SA is discussed.     

Volume Chemistry of Nitrogen in Binary Metal Nitrides and Subnitrides

A comparison of the concept of volume increments created by W. Biltz with that based on quantum mechanical calculations by R.F.W. Bader was performed for crystal structures of binary metal nitrides and ‐subnitrides. The mutual comparison of both concepts permits insights into the bonding relationships of these compounds and reveals the considerable range of volume demand of a strongly polarisable bonding partner, such as the nitride ion. Finally it becomes clear that the Biltz volume increments show a quantum‐chemical relevance in the chemistry of solids.     

Pressure-temperature phase diagrams of smectogenic 4'-alkyl-4-cyanobiphenyls (9CB, 10CB, 11CB and 12CB)

The pressure-temperature ( p - T ) phase diagrams for four smectogenic members of the 4'-alkyl-4-cyanobiphenyl homologous series ( n CB, n =9, 10, 11 and 12) over the temperature range 320-410 K and pressure range 0.1-300 MPa (3 kbar) were constructed using DTA. At 1 atm 9CB exhibits nematic and smectic A d phases, while the other members show only the smectic A d phase. However, at elevated pressures the clearing line splits in the case of 10CB and 11CB which indicates the induction of a nematic phase. It was found that the triple point, where the isotropic, nematic and smectic phases coexist, is strongly shifted to higher pressures with increasing chain length. This was interpreted as being caused by a loss of the rod-like shape of the molecules containing longer alkyl tails which explore a range of conformations. The slope of the clearing line, d T /d p , depends strongly on the length of the alkyl chain for the n CB series, but does not show a step-wise change between the nematogenic and smectogenic members.