Theoretical estimates for proton-NMR spin–lattice relaxation rates of heterometallic spin rings

Heterometallic molecular chromium wheels are fascinating new magnetic materials. We reexamine the available experimental susceptibility data on MCr₇ wheels in terms of a simple isotropic Heisenberg Hamiltonian for M=Fe, Ni, Cu, and Zn and find in that FeCr₇ needs to be described with an iron–chromium exchange that is different from all other cases. In a second step we model the behavior of the proton spin lattice relaxation rate as a function of applied magnetic field for low temperatures as it is measured in nuclear magnetic resonance (NMR) experiments. It appears that CuCr₇ and NiCr₇ show an unexpectedly reduced relaxation rate at certain level crossings.     

Poly(ortho‐phenylene ethynylene)s: Synthetic accessibility and optical properties

Poly(ortho‐phenylene ethynylene)s (PoPEs) have been synthesized via an in situ activation/coupling AB′ polycondensation protocol. The resulting polymers have been characterized by several analytical methods and are shown to have no structural defects. Although the Sonogashira–Hagihara polycondensation reaction is less efficient than for the preparation of the corresponding meta‐ and para‐linked polymers, presumably because of steric hindrance caused by the ortho substituents, the process can be accelerated by the use of microwave irradiation. Optical spectroscopy indicates solvent‐dependent conformational changes between extended transoid and helical cisoid conformations, providing the first experimental evidence for solvophobically driven folding of the PoPE backbone. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 1619–1627, 2006     

Differential oscillator strengths and dipole polarizabilities for transitions of the helium sequence

The dipole radial integral for an initial discrete 1s state and a final continuum state has been calculated under the screened hydrogenic model. In this model, single-electron hydrogenic wave functions are employed and the initial and the final states are treated by two different effective-charge parameters. Numerical values of differential oscillator strengths for transitions from 1s 21S to the continuum for the helium sequence ions are obtained. Also calculated are the dipole polarizabilities, which are found to be in excellent agreement with the results of other authors.     

Conductance Study of the Binding of K+ by Dibenzo-pyridino-18-crown-6 and 1,10-N,N′-didecyl-diaza-18-crown-6 in Acetonitrile

The binding of K+ by dibenzo-pyridino-18-crown-6 (B2-py-18-C-6) and1,10-N,N-didecyl-diaza-18-crown-6 (22-DD) has been studiedconductometrically at 10, 15, 20 and 25 °C in acetonitrile. Thecomplexes formed were assumed to have 1 : 1 stoichiometry. The complexes ofK+ with 18-crown-6 (18-C-6) and dibenzo-18-crown-6 (B2-18-C-6) were alsostudied for comparison purposes. The stability constant, K, of a givencomplex and its molar conductance, c, were obtained by subjectingthe conductance data to a non-linear least-squares curve fitting procedure.The values of the enthalpy change, H, the entropy change, Sand the Gibbs free energy, G, associated with the formation of the 1: 1 complexes were derived and compared with relevant literature data. Thevalues of G at 25 °C indicate that the binding capacity of thefour macrocycles follows the order 18-C-6 > 22-DD > B2-18-C-6 >B2-py-18-C-6. The difference between the molar ionic conductance of the freeK+ cation and that of the bound cation, KL+, was estimated and the trend insuch differences correlates with the molecular size of the macrocycle, L.     

Natural and fallout radionuclide concentrations in the environment of Islamabad

A study on the concentration of natural and fallout radionuclides in environmental samples collected from different localities of Islamabad was performed. For the determination of gamma-emitters such as ²³⁸U, ²³²Th, ⁴⁰K and ¹³⁷Cs high purity germanium (HPGe) detector was used while for the analysis of ⁹⁰Sr, a beta-emitter, liquid scintillation counting system was used. The indoor absorbed dose rate was measured by a CaF₂ : Dy thermoluminescence detector. Other radiation parameters were also determined to evaluate the radiation hazard. All the results were well within the permissible limits showing that there is no radiation hazard in the environment of Islamabad.     

Two New and a Known Compound from Lawsonia inermis

A new obtusafuran derivative, lawsonicin ( 1 ), and a new naphthaquinone, lawsonadeem ( 2 ), along with a known constituent, vomifoliol ( 3 ), were isolated from the aerial parts of Lawsonia alba and characterized by chemical transformation and spectroscopic experiments, including 2D‐NMR techniques.     

Terpenoids of the essential oil ofLedum hypoleucum

The chemical composition of the terpenoids of the essential oil ofLedum hypoleucum growing in the Far East has been studied. It differs fromL. palustre by a larger amount of compounds of the bisabolane series in the essential oil. Among the monoterpenoids, p-cymene, -phellandrene, and ascaridole predominate. The main components of the sesquiterpenoids are ar-curcumene and ar-turmerone, now found for the first time inLedum essential oils.Tomsk State Medical Institute. Novosibirsk Institute of Organic Chemistry, Siberian Branch, Academy of Sciences of the USSR. Translated from Khimiya Prirodnykh Soedinenii, No. 1, pp. 104–107, January–February, 1987.     

Negative ion FAB mass spectroscopy of some ribose alkylated 5'-UMP derivatives

Characteristic fragment ions obtained in Fast atom bombardment (FAB) mass spectroscopy of ribose alkylated Uridine 5'-monophosphate (5'-UMP) derivatives in negative ion mode are described. All the compounds examined exhibited either [M]- or quasimolecular ion [M - H]- the fragmentations can be used to characterize these nucleotides.