Gamma-spectroscopy within the island of high-spin isomers nearN=82

A NaI sum-spectrometer combined with Ge-counters has been used to characterize the members of the island of high spin isomers nearN=82. On the basis of half lives, totalγ-decay energies and discreteγ-lines, assignments of 22 isomers are given or confirmed. The isomers are localized to the region 82≦N≦86 andZ≦68, and the excitation energies vary from 3 MeV to 12.2 MeV. An empirical relation between spin and excitation energy is presented and on this basis isomeric spin values up to (33±2)? are deduced. The isomers are thought to be due to strong alignment of 2 to 8 shell-model particles in a spherical or possibly weakly oblate potential.     

ESR parameters of a series of La@C n isomers

A systematic characterization of a series of La@C _n by temperature-dependent electron spin resonance (ESR) in solution was performed. The anisotropic ESR parameters of theg-factor, the hyperfine coupling tensor, and nuclear quadrupole interaction were determined by a quantitative analysis of the linewidth on the basis of the hydrodynamics in solution. As a result, it was found that the electronic structure of all La@C _n was stabilized by an intramolecular charge transfer and can be described as La³⁺@C _n ^3? . An interesting feature of the spin dynamics beyond the hydrodynamics in solution was deduced for La@C₈₀-I and La@C₈₄-II.     

Description of high-spin isomers in theN=82 region

The high spin states and of those especially the yrast isomers are studied in the region near the rare earth nuclei. The deformation energy surface is calculated with a method modelled in principle according to a shape constrained cranked HF theory (CHF). In practice, the expectation value of the many-body Hamiltonian is calculated with cranked Nilsson functions. One finds rotation around a slightly deformed oblate or prolate symmetry axis in front or behind the rare earth region, respectively. Near the Hf isotopes strongly prolate deformed nuclei rotating around the symmetry axis are found in agreement with the knownK isomers in this region. These results are explained also qualitatively with the help of the MONA (Maximisation of theOverlap ofNucleonic wave functions byAlignment of single particle angular momenta) effect. In the second part high spin states and yrast isomers in theN=82 region are calculated in the cranked Hartree-Fock-Bogoliubov approach with four and six quasi-particle excitations. For the excitation energies in¹⁴⁶Gd and¹⁵²Dy and a measuredg factor one finds satisfactory agreement.     

Description of high-spin isomers in theN=82 region

The high spin states and of those especially the yrast isomers are studied in the region near the rare earth nuclei. The deformation energy surface is calculated with a method modelled in principle according to a shape constrained cranked HF theory (CHF). In practice, the expectation value of the many-body Hamiltonian is calculated with cranked Nilsson functions. One finds rotation around a slightly deformed oblate or prolate symmetry axis in front or behind the rare earth region, respectively. Near the Hf isotopes strongly prolate deformed nuclei rotating around the symmetry axis are found in agreement with the knownK isomers in this region. These results are explained also qualitatively with the help of the MONA (Maximisation of theOverlap ofNucleonic wave functions byAlignment of single particle angular momenta) effect. In the second part high spin states and yrast isomers in theN=82 region are caluclated in the cranked Hartree-Fock-Bogoliubov approach with four and six quasi-particle excitations. For the excitation energies in¹⁴⁶Gd and¹⁵²Dy and a measuredg factor one finds satisfactory agreement.     

Electronic structure and reactivity of the CNO/NCO/CON isomers

Three-dimensional potential energy surfaces (PESs) have been calculated for the lowest electronic states of NCO, CNO and CON isomers, using internally contracted Multi Reference Configuration Interaction (MRCI) and Coupled-Clusters RCCSD(T) ab initio methods. For the low lying doublet and quartet excited states of the three isomers, the N–CO, O–CN, C–NO and C–ON collinear dissociation paths were mapped by the Complete Active Space SCF (CASSCF) approach and the energy variations with the bending coordinate have been explored. Several regions of conical intersections have been located and the spin–orbit interactions between states of different spin symmetry have been evaluated in the region of intersections of these states. The analysis of the PESs allows one to identify the main interactions governing the reactivity of the lowest electronic states. The NCO and CNO isomers have stable X²Π electronic ground states, for CON the X²Π ground state is separated from the dissociative [CO?+?N] asymptote by a barrier of 0.11 eV and crosses the dissociative ⁴Σ ^- state close to its minimum. At their equilibrium ground state geometries the spin–orbit interactions A _SO between the two electronic components of the X²Π states were calculated to be -95.6, -109.6 and -57.1 cm^?1 for NCO, CNO and CON, respectively. The predissociation of the vibrational levels of the A²Σ⁺ and B²Π states of NCO has been explained.     

Systematics of related high-spin isomers in 144Sm and other N = 82 nuclei

An in-beam experiment with the reaction ¹²²Sn(²⁷Al,4np) at 127 MeV was performed at the Nordball multi-detector array in Roskilde. It provided evidence for a new high-spin isomer in ¹⁴⁴Sm. This isomer with T _1/2= (2.6 ± 0.5) ns at an excitation energy E _x= 9232 keV seems to belong to a family of isomers of similar configuration in neighbouring N= 82 nuclei. Received: 16 November 1997     

ESR study of fullerene black

Fullerene black before and after annealing at 850°C has been studied by electron spin resonance (ESR). For initial fullerene black, the ESR line exhibits wide wings and its shape is caused by magnetic dipole-dipole interactions between radicals localized randomly on the carbon surface. Dioxygen decreases reversibly the amplitude of the ESR line without changes in its shape, width (0.19 mT) andg-factor (2.0022). This is explained by the assumption that dioxygen molecules adsorbed on the surface broaden strongly ESR lines only of neighboring radicals. For annealed fullerene black, the ESR line is Lorentzian, dioxygen reversibly broadens the line, and theg-factor decreases with the broadening of the line by dioxygen. This is explained by radical-radical and radical-dioxygen spin exchange interactions via conjugated bonds formed in the course of annealing. Flattening of curved carbon surfaces after annealing explains in a uniform way changes in parameters of ESR lines and in reactivity and catalytic activity of fullerene black.     

Educational experiments on ESR imaging with a portable ESR spectrometer

A light-weight portable electron spin resonance (ESR) spectrometer with the permanent magnet of Nd-B-Fe (Neomax) and field sweep coils was used as a demonstration tool of ESR microscopy for student’s experiments. Educational experiments on one-and two-dimensional ESR imaging are made by inserting field gradient coils or field scanning wire arrays into the cavity using test samples of DPPH. A preliminary work on double frequency modulation is described for two-dimensional imaging using microwire arrays.     

High-resolution infrared spectra of the two nonpolar isomers of 1,4-difluorobutadiene

High-resolution (0.0013 cm⁻¹) infrared spectra have been recorded for trans,trans-1,4-difluorobutadiene (ttDFBD) and cis,cis-1,4-difluorobutadiene (ccDFBD). The rotational structure in two C-type bands (ν₁₀ and ν₁₂) and one A-type band (ν₂₂) for ttDFBD and in two C-type bands (ν₁₁ and ν₁₂) for ccDFBD has been analyzed. Ground state and upper state rotational constants, except for ν₁₀ of ttDFBD, have been fitted. Band centers are 934.1 cm⁻¹ (ν₁₀), 227.985 cm⁻¹ (ν₁₂), and 1087.919 cm⁻¹ (ν₂₂) for ttDFBD. Band centers are 762.891 cm⁻¹ (ν₁₁) and 327.497 cm⁻¹ (ν₁₂) for ccDFBD. The small inertial defects in the ground state confirm that both isomers are planar. Obtaining the ground state rotational constants for the two isomers of DFBD is a first step toward determining their semi-experimental equilibrium structures.     

Electrolyte interaction with DPPC vesicles: An ESR study

Summary The partition of the spin probe TEMPO between the fluid lipid phase of single-walled vesicles of dipalmitoylphosphatidylcholine and the aqueous bulk solution have been used to investigate the interaction of monovalent ions with polar head of neutral phospholipids. The study has been performed by electron spin resonance (ESR) spectroscopy in the temperature range of (20÷60)°C and in the presence of (0÷3) M 1∶1 electrolyte. In the absence of electrolyte the spin probe TEMPO reveals the characteristic order→disorder DPPC main phase transition atT _m≈37°C, while the pretransition occurs atT _p≈27.5°C. On increasing the ionic strength of the dispersion medium it results for the partition coefficient,P _C, that, at each temperature,P _C(3)>P _C(2)>P _C(1)>P _C(0). Correspondingly, the pretransition disappears and theT _m value downshifts from ≈37°C with 0 M electrolyte to ≈34°C with 3M salt in the order:T _m(3)>T _m(2)>T _m(1)>T _m(0). The results suggest an increase in the net surface charge density of vesicles due to high ionic-strength values. The alteration of the electric interactions occurring into the polar zone of DPPC bilayer reduces the hindrances which, in turn, favour the enhancement of TEMPO partitioning in the hydrophobic core of phospholipid bilayers. The authors of this paper have agreed to not receive the proofs for correction.     

Theoretical study on the electronic structures and properties of diindolocarbazole isomers

The objective of this work is to provide an in‐depth interpretation of the electronic structures and optical properties of diindolocarbazole isomers. A systematic study of these different structures caused by the linkage pattern was performed via theoretical calculations. The optimized geometries, electronic properties, frontier molecular orbitals, ionization potentials, electron affinities, reorganization energies, and absorption and emission spectra of these isomers have been calculated and analyzed. Based on the detailed comparisons, the diindolocarbazoles act as candidates of different functional materials for optoelectronic application was predicted and the theoretical reference for the synthesis efforts and experimental investigation was provided. Copyright © 2014 John Wiley & Sons, Ltd.     

In-beam study of174Lu isomers

Levels in¹⁷⁴Lu have been investigated using the¹⁷⁶Yb(p,3n) reaction. Prompt and delayedγ-ray spectra have been observed with a 0.56-cm³ Ge(Li) detector by a multispectrum analysis method. The half-life and decay mode of two isomeric levels, one at 240.8keV (395±15ns) and the other at 365.1keV (145±3ns) have been firmly established. Hindrance factors are discussed. New delayed transitions in¹⁷⁵Lu are also noted.     

ESR study on scavenging effect of nicotine on free radicals

Smokers have less risk to catch degenerative diseases such as Alzheimer’s disease and Parkinson’s disease that are both correlated with enhanced oxidative stress. The scavenging effect of nicotine on free radicals was investigated by electron spin resonance techniques. It was found that the scavenging effect of nicotine on hydroxyl radicals and superoxide free radicals was higher than that of vitamin C. It was also found that nicotine could scavenge free radicals in gas-phase cigarette smoke. The data indicate that nicotine may be a potential antioxidant.     

Quantum-chemical study of the spectral properties of stilbene isomers

Calculations of absorption spectra of cis-and trans-forms of stilbene by the quantum-chemical method of intermediate neglect of differential overlap with spectroscopy parametrization were carried out. The electron structure of a stilbene molecule was studied and energy-level diagrams were drawn and analyzed. Rate constants of different photophysical processes occurring in a stilbene molecule after absorption of a photon were calculated in relation to the molecule conformation. On the basis of the obtained results, possible configurations of photoisomer molecules were considered and the most probable configurations of excited stilbene molecules were determined. It was shown how the change in the configurations of cis-and trans-forms of stilbene affects its spectral properties.     

ESR spectroscopy applied to the study of radiation mechanisms

ESR spectroscopy is a powerful tool for detecting radicals or radical-ions trapped in solids, and in many cases “primary” electron-gain and-loss centres can be identified and their structures elucidated. Sometimes these primary centres are trapped in pairs, separated byca. 5 to 15 Å giving triplet state ESR spectra. The significance of pair-trapping in relation to current theories for the action of ionizing radiation will be discussed with reference to several recent examples. Generally, the primary centres are well separated and ESR does not give useful information about spurs or local regions of high radical densities. Reasons for trapping will be summarized with specific reference to DNA and proteins. The question of electron-return will be discussed, and several examples of this will be reported.     

Antiferromagnetic resonance study of sodalite loaded with sodium by multi-frequency ESR

We have carried out electron spin resonance (ESR) measurements on powder samples of sodalite loaded with Na at several frequencies between 9.7 and 35 GHz and at temperatures between 1.5 and 60 K. The ESR absorption spectrum below a Néel temperature T_N turns into an asymmetric spectrum with a long tail at low fields from a symmetric one above T_N. The line shape of the spectra below T_N is analyzed by a powder pattern simulation of the antiferromagnetic resonance spectra with easy-plane anisotropy. The calculated line shape reproduces the experimental one considerably well by assuming a Gaussian distribution of the zero-field energy gap. We have evaluated a small anisotropy field of about 2×10⁻⁴ T by using the exchange coupling constant calculated from the Weiss and the Néel temperatures. This result indicates that the sodalite loaded with Na is quite an ideal Heisenberg antiferromagnet as expected from the s-electron character of Na clusters and the cubic arrangement of nano-spaces in the sodalite.