Hyperfine spectrum of RbI

The molecular beam electric resonance technique has been used to conduct a high precision examination of the hyperfine spectrum of RbI. Coupling constants for the nuclear electric quadrupole interactions, the spin-rotation interactions, the tensor and scalar spin-spin interactions, and their dependence on vibrational and rotational state have been determined.     

Hyperfine spectrum of NaF

The molecular beam electric resonance technique has been used to conduct a high precision examination of the hyperfine spectrum of ²³Na¹⁹F. Coupling constants for the nuclear electric quadrupole interactions, the spin-rotation interactions, the tensor and scalar spin-spin interactions, and their dependence on vibrational and rotational state have been determined.     

Microwave spectrum of C methyl iodide

The results of reinvestigation of millimeter and submillimeter-wave spectrum of ¹³CH₃I molecule are reported. Microwave spectrum records were carried out in the frequency range 50-250 GHz and 280-330 GHz. For several series of rotational transitions the accuracy of measurements was improved by an order of magnitude. On the basis of large amount of experimental data (about 800 rotational transitions) for the first time the most complete set of molecular constants was obtained. Also for most of parameters the estimation accuracies were improved by several orders of magnitude.     

Hyperfine spectra of KBr and KI

The molecular beam electric resonance technique has been used to conduct a high precision examination of the hyperfine spectra of ³⁹K⁷⁹Br, ³⁹K⁸¹Br and ³⁹K¹²⁷I. Coupling constants for the nuclear electric quadrupole interactions, the spin–rotation interactions, the tensor and scalar spin–spin interactions, as well as the electric dipole moment of KI, and their dependence on vibrational and rotational state have been determined. A few transitions observed for ⁴¹K¹²⁷I show a small shift in the iodine nuclear electric quadrupole interaction, and the fit improves somewhat with the inclusion of an iodine nuclear electric hexadecapole interaction term.     

Rotational spectra of isotopic species of silyl fluoride. Part I: Lamb-dip measurements and quantum-chemical calculations

The Lamb-dip technique has been employed for recording the rotational spectra of three isotopic species of silyl fluoride, namely ²⁸SiH₃F, ²⁹SiH₃F, and ³⁰SiH₃F, in order to improve the knowledge of their spectroscopic parameters as well as to try to resolve their hyperfine structure. High-level quantum-chemical computations using state-of-the-art coupled-cluster techniques together with core-polarized correlation-consistent basis sets have been employed to provide reliable reference values for the hyperfine parameters involved and have been used to guide the experimental investigation. Analysis of the experimental spectra allowed to improve the accuracy of the known spectroscopic parameters as well as to determine for the first time sextic and octic centrifugal-distortion constants.     

Fourier transform microwave spectroscopy of aluminum hydrosulfide, AlSH

Pure rotational transitions of three isotopic species of aluminum hydrosulfide, AlSH, have been measured with a cavity pulsed jet Fourier transform microwave spectrometer. AlSH was prepared by the reaction of laser ablated Al metal with H₂S, and was stabilized in pulsed supersonic free jets of Ar. For each species the transition 1₀₁-0₀₀ was measured; hyperfine structure due to the nuclear spin of ²⁷Al was observed for the first time and analyzed. For Al³²SH and Al³²SD, the rotational constants are in excellent agreement with published values. For the third species, Al³⁴SH, this is the first observation, and its rotational constants are consistent with the published geometry. Information on the electronic structure of the molecule has been obtained using the ²⁷Al nuclear quadrupole coupling constants and nuclear spin-rotation constants. The latter have been used to evaluate ²⁷Al NMR shielding parameters, which are compared with those of other ²⁷Al compounds. These shieldings have been found to be in excellent agreement with theoretical predictions. The results should also help facilitate astrophysical searches for the molecule.     

Rotational spectrum of HCBr produced by 193-nm laser photolysis of bromoform

The pure rotational spectrum of bromomethylene (HCBr) was studied by kinetic microwave spectroscopy between 420 and 472 GHz. The HCBr radical was produced by 193-nm ArF laser photolysis of bromoform (CHBr₃). More than 130 rotational transitions for both and species in the ground vibrational state were measured involving 1?J?33 and 0?K_a?5. The spectra were well described by an S-reduced Watson Hamiltonian in the I^r representation including the nuclear quadrupole and spin-rotation hyperfine terms. Rotational, centrifugal distortion, nuclear quadrupole and spin-rotation coupling constants were derived for both and species in the ground vibrational state.     

类氢离子基态超精细结构的理论研究

利用相对论多组态Dirac-Fock方法,系统计算了类氢离子165Ho66+, 185Re74+,187Re74+,207Pb81+, 209Bi82+, 203TI80+和205TI80+的基态超精细结构分裂以及相应的基态跃迁波长,并与相关实验数据及其它理论结果进行了对比.     

Anisotropy of hyperfine interactions as a tool for interpretation of NMR spectra in magnetic materials

Approach for interpretation of nuclear magnetic resonance (NMR) spectra in magnetic materials is presented, consisting in employing the anisotropy of hyperfine interaction. The anisotropic parts of hyperfine magnetic fields on ⁵⁷Fe nuclei are calculated ab initio for a model example of lithium ferrite and utilized to assign the experimental NMR spectral lines to iron sites in the crystal structure.     

~(141)Pr~ 581.69nm谱线超精细结构光谱研究

利用共线快离子束 激光光谱学方法测量了正一价镨离子波长 5 81.6 9nm谱线的超精细结构光谱 ,得到了超精细相互作用常数 ;与已发表的数据比较 ,在测量误差范围内一致 ,我们的测量精度提高了一个量级     

Hg绿谱线超精细结构分析及相互作用常数计算

比较了Hg的546.1 nm绿谱线超精细结构的理论计算值和实验值,定出了原子超精细结构磁偶极矩相互作用常数Am和电四极矩相互作用常数Be.     

The pure rotational spectrum of ZnCl (XΣ): Variations in zinc halide bonding

The radical ZnCl (X²Σ⁺) has been studied using millimeter-wave direct-absorption techniques. Pure rotational spectra of ⁶⁷Zn³⁵Cl, ⁶⁶Zn³⁷Cl, ⁶⁸Zn³⁵Cl, ⁶⁴Zn³⁵Cl, ⁶⁴Zn³⁷Cl, and ⁶⁶Zn³⁵Cl were measured in the vibrational ground state and data were also recorded for the latter three in the v = 1 and v = 2 states. Every rotational transition was found to be split into a doublet due to spin-rotation interactions. For ⁶⁷Zn³⁵Cl, each doublet exhibited additional splittings arising from hyperfine coupling of the ⁶⁷Zn (I = 5/2) nucleus. Rotational, fine structure, and hyperfine constants have been determined from these data, and equilibrium parameters calculated. The equilibrium bond length of ⁶⁴Zn³⁵Cl is found to be 2.13003305(24) Å, in good agreement with recent theoretical predictions. Interpretation of hyperfine constants indicates that the 12σ orbital is ∼70% Zn(4s) in character, suggesting that the zinc chloride bond is relatively ionic.     

Nuclear quadrupole coupling interactions in the rotational spectrum of tryptamine

Four conformers of tryptamine have been detected in a supersonic expansion and characterized by laser ablation molecular beam Fourier transform microwave spectroscopy LA-MB-FTMW in the 5–10 GHz frequency range. The quadrupole hyperfine structure originated by two ¹⁴N nuclei has been completely resolved for all conformers and used for their unambiguous identification. Nuclear quadrupole coupling constants of the nitrogen atom of the side chain have been used to determine the orientation of the amino group involved in N–H?π interactions: to the π electronic system of the pyrrole unit in the Gauche-Pyrrole conformers (GPy) or to the phenyl unit in the Gauche-Phenyl ones.     

Rotational spectrum of silyl chloride: hyperfine structure and equilibrium geometry

The Lamb-dip technique was employed to record the rotational spectra of two isotopic species of silyl chloride, namely ²⁸SiH₃Cl and ²⁹SiH₃Cl, in order to investigate their hyperfine structure. High-accuracy quantum-chemical computations were employed to predict the hyperfine parameters involved and to support the experimental investigation. Analysis of the experimental spectra led to an improvement in the accuracy of the known spectroscopic constants as well as allowed us to determine additional spectroscopic parameters for the first time. Furthermore, the equilibrium structure of silyl chloride was reinvestigated using both theoretical and experimental data. The best theoretical and semi-experimental geometries were found to agree within their stated accuracy, leading to the following recommended structure: r(Cl–Si)?=?2.046(1)Å, r(Si–H)?=?1.469(1)Å, and ∠ClSiH?=?108.43(1)^○.     

Hyperfine interaction in Co2SiO4 investigated by high resolution neutron spectroscopy

We have investigated the hyperfine interaction in Co₂SiO₄ by inelastic neutron scattering with a high resolution back-scattering neutron spectrometer. The energy spectrum measured from a Co₂SiO₄ powder sample revealed inelastic peaks at at T=3.5 K on both energy gain and energy loss sides. The inelastic peaks move gradually towards lower energy with increasing temperature and finally merge with the elastic peak at the electronic magnetic ordering temperature . The inelastic peaks have been interpreted to be due to the transition between hyperfine-split nuclear level of the ⁵⁹Co isotopes with spin . The temperature dependence of the energy of the inelastic peak in Co₂SiO₄ showed that this energy can be considered to be the order parameter of the antiferromagnetic phase transition. The determined hyperfine splitting in Co₂SiO₄ deviates from the linear relationship between the ordered electronic magnetic moment and the hyperfine splitting in Co, Co-P amorphous alloys and CoO presumably due to the presence of unquenched orbital moment. These results are very similar to those of CoF₂ recently reported by Chatterji and Schneider [7].     

Rotational spectrum of trifluoroacetone

The rotational spectra of 5 isotopologues of 1,1,1-trifluoroacetone have been assigned using pulsed-jet Fourier-transform microwave spectroscopy. All rotational transitions appear as doublets, due to the internal rotation of the methyl group. Analysis of the tunneling splittings using both the principal axis method (PAM) and the combined axis method (CAM) methods allows to determine accurately the height of the threefold barrier to internal rotation of the methyl group, and its orientation, leading to V₃ = 3.28 and 3.10 kJ mol⁻¹, respectively. The r_s geometry of the molecular skeleton, a partial r₀ structure of the molecule and supporting ab initio calculations are also reported.     

Cyanoketene: the microwave spectrum and structure of an unstable molecule

The unstable molecule cyanoketene has been prepared by pyrolysis in a flow system, and the microwave spectra of five isotopic species, a- and b-type, have been measured in the frequency range from 8 to 40 GHz. Precise rotational constants and centrifugal distortion parameters up to the sixth order were obtained. The molecule has been shown to be planar, and a reliable structure was derived. Also the N-quadrupole coupling constants and the dipole moment components have been determined. The results could be a basis for interstellar spectroscopy of this molecule.     

钕离子同位素移位和超精细结构光谱

原子光谱中,同位素移位和超精细结构光谱是少数几个能够将原子物理和原子核物理这两个不同的物理分支联系起来的课题之一.利用共线快离子束-激光光谱学方法测量了单电荷态钕离子4f45d6G3/2→(26041)°5/2跃迁(波长577.21 nm)的共振光谱,得到了所有7个稳定同位素(A=142～146,148,150)之间的能量移位和2个奇同位素(A=143,145)的超精细结构光谱.     

Rotational spectrum of cyclohexyl sarin

The rotational spectrum of cyclohexyl sarin (also known as GF) has been measured in a jet-cooled expansion using Fourier transform microwave spectroscopy. Two spectra have been observed, each having splittings associated with the internal rotation of the CH₃P group. The observed V₃ barriers are similar in magnitude to those reported for other organophosphonate nerve agents. The two conformational structures of GF have been identified from comparisons of the observed rotational constants and dipole moment magnitudes with ab initio predictions at the MP2/6311G (d,p) level. These two structures are distinguished by the placement of the fluorophosphonate group at the equatorial and axial positions of the cyclohexane ring. The data also suggest that both conformers prefer a positioning of the FP group with the PO oxygen in an eclipsed orientation relative to the C₁ hydrogen on the ring.     

On the possibility of detecting asymmetric magnetization reversal processes in exchange bias systems by low temperature nuclear orientation

Low temperature nuclear orientation has been used for the first time to investigate the magnetization reversal processes in an exchange bias system (Co/Au/CoO), with the advantage of observing both the Co and Au layers at the same time. By monitoring the counting-rate ratio of two γ-ray detectors, the measurements may be used to distinguish between reversal processes dominated by domain wall motion as opposed to rotation of the magnetization.