– We present a new theoretical analysis of the strongly suppressed F-and M-dependent Stark shifts of the Cs ground state hyperfine structure. Our treatment uses third order perturbation theory including off-diagonal hyperfine interactions not considered in earlier treatments. A numerical evaluation of the perturbation sum using bound states up to n=200 yields ground state tensor polarizabilitie...

The rotational spectra of DCOand its two isotopomers DCO + and DCO + , produced in a negative glow discharge cell, have been recorded in the 137–792 GHz region, which includes lines from J = 2 ← 1 up to J = 11 ← 10. The determined rotational and centrifugal distortion constants allow to predict the DCOrotational spectrum up to 1000 GHz with an accuracy of 1 part in 10 or better. This is importa...

We re-analyze Nuclear Magnetic Resonance (NMR) spectra observed at low temperatures and high magnetic fields in the field-induced B-phase of CeCoIn5. The NMR spectra are consistent with incommensurate antiferromagnetic order of the Ce magnetic moments. However, we find that the spectra of the In(2) sites depend critically on the direction of the ordered moments, the ordering wavevector and the ...

Experimental and theoretical methodologies have been developed to determine the hyperfine structure of molecular ions from detailed studies of the Rydberg spectrum and have been tested on molecular hydrogen. The hyperfine structure in l=0-3 Rydberg states of H2 located below the X 2Sigmag+(v+=0,N+=1) ground state of ortho H2+ has been measured in the range of principal quantum number n=50-65 at...

ENDOR spectroscopy and DFT calculations have been used to thoroughly investigate the ligand hyperfine couplings for the bis(acetylacetonato)-copper(ii) complex [Cu(acac)2] in frozen solution. Solutions of [Cu(acac)2] were prepared under anhydrous conditions, and EPR revealed that the g and (Cu)A values were affected by traces of water present in the solvent. The ligand (H)Ai hyperfine couplings...

The regulatory H2-sensing [NiFe] hydrogenase of the beta-proteobacterium Ralstonia eutropha displays an Ni-C "active" state after reduction with H2 that is very similar to the reduced Ni-C state of standard [NiFe] hydrogenases. Pulse electron nuclear double resonance (ENDOR) and four-pulse ESEEM (hyperfine sublevel correlation, HYSCORE) spectroscopy are applied to obtain structural information ...

The ferredoxin from parsley has been purified to a high degree. The protein contains 2.o iron atoms per molecule, has an iron to labile sulfide ratio of unity and consumes 9 moles of mercurial, leading to calculated molecular weights of 1o8oo, 1o75o and 1o96o, respectively. These compare well with the results of amino acid analysis which gave a molecular weight of 1o66o. The dithionite-reduced ...

This work deduces from a series of well-defined copper-doped amino acid crystals, relationships between structural features of the copper complexes, and ligand-bound proton hyperfine parameters. These were established by combining results from electron paramagnetic resonance (EPR)/electron-nuclear double resonance (ENDOR) studies, crystallography, and were further assessed by quantum mechanical...

The Fe Mössbauer spectroscopy on -iron II phthalocyanine FePc as a function of temperature 1.3 T 295 K and applied field 0 B 10 T has been used to study the peculiar magnetic properties of this ferromagnetic quasilinear chain type compound. One sextet with an internal hyperfine field Bint=66.2 T was observed at 1.3 K, a very large value for a bivalent iron with S=1 pointing to the existence of ...

The determination of hyperfine structure resolved excitation cross sections and rate coefficients due to H2 collisions is required to interpret astronomical spectra. In this paper, we present several theoretical approaches to compute these data. An almost exact recoupling approach and approximate sudden methods are presented. We apply these different approaches to the HCl-H2 collisional system ...