Two novel Cu(Ⅰ)complexes based on diimide and bisphosphine ligands:synthesis,crystal structure and spectroscopic properties

Two Cu(Ⅰ)complexes[Cu(Bphen)(dppBz)]ClO_(4)·2CH_(3)OH(1)and[Cu_(2)(Bphen)_(2)(dpppda)]BF_(4)(2){Bphen=4,7-diphenyl-1,10-phenanthroline,dppBz=1,2-Bis(diphenylphosphino)benzene,dpppda=N1,N1,N4,N4-tetrakis[(diphenylphosphino)methyl]-1,4-benzenediamin}were synthesized using a one-pot method.X-ray crystallography was used to elucidate their crystal structures and photophysical properties.A series of characterization tests including elemental analysis,NMR,FT-IR,UV-Vis absorption spectroscopy,fluorescence spectroscopy,thermal gravimetric analysis and terahertz time-domain spectroscopy(THz-TDS)were used to further investigate their properties.The results show that complex 1 structure is mononuclear containing two solvent molecules per unit cell,while complex 2 structure is binuclear containing two metal centers per unit cell.According to photophysical properties and density functional theory(DFT)calculations,their luminescence properties can be attributed to metal-to-ligand charge transfer(MLCT).Both complexes have a unique stability,which is confirmed by thermal gravimetric analysis.

Determination of 2 Amides Pesticide Residues in Agricultural Products by Terahertz Time-domain Spectroscopy

[Objective] The aim was to explore the application of terahertz （THz） technique in pesticide recognition and residue determination. [Method] THz far-infrared spectral characteristics of 2 herbicides （butachlor and metolachlor） were measured by THz time-domain spectroscopy （THz-TDS） under conditions of room temperature and nitrogen,meanwhile their refractive index and absorption coefficient between 0.2 and 2.2 THz were calculated by using models based on Fresenl equations. [Result] The 2 pesticides both had a series of different characteristic absorption peaks between 0.2 and 2.2 THz,respectively. Their molecular structures were similar,but there were great difference in absorption and refractive index spectrum between them. [Conclusion] THz-TDS technique is feasible to detect pesticide residues,especially there is a greater advantage in identifying the structure of similar substances.

Experimental measurements of water content in crude oil emulsions by terahertz time-domain spectroscopy

We measured the water content （0.01% 0.25% w/w） in crude oil emulsions using terahertz time-domain spectroscopy （THz-TDS）. To improve the precision and range of the measurements, we used 1 and 10 mm thick quartz cells. The experiments were performed at 20 ℃ and the THz wave was transmitted vertically to the samples and detected on the other side. The experimental results suggest linear relation for the THz absorption coefficient and the water content of the crude oil emulsions in the observed range. The linear dependence facilitates high-precision measurements of the water content of crude oil. This suggests the potential of THz-TDS in determining the water concentration in crude oil and borehole fluid identification.

Terahertz spectrum clustering of traditional Chinese medicine based on first derivative characteristics

In order to deal with the unclear absorption peak caused by the absorption peak overlap of traditional Chinese medicine(TCM)and other mixtures,a method of three unsupervised clustering algorithms as K-means,K-medoids and Fuzzy C-means(FCM)combined with the first derivative characteristics of terahertz absorption spectrum,is proposed to perform the terahertz spectra clustering of Sanchi and other three kinds of TCM compared with their easily-confused products(ECPs).These three unsupervised clustering methods complement the scope of the supervised learning classification method.The first derivative of the spectrum could amplify the difference in the absorption coefficient with different substances,so that the obvious absorption peak can be revealed.Experiments shows that these three clustering algorithms can achieve good results by combining the origin absorption coefficient with its first-order derivative as the characteristic data,and among which K-means does the best with the accuracy of95.32%.Compared with pure absorption coefficient data clustering,the accuracy in this study has been significantly improved,especially for the non-absorption-peak TCM classification.And the accuracy of K-means algorithm is improved by5.38%.Besides,clustering algorithms in this study have strong anti-interference ability to the error data.

Terahertz spectral analysis of Yunpian Lurong

Objective: Provide a rapid and simple method to identify Yunpian Lurong. Method: Terahertz spectroscopy was used to detect Yunpian Lurong. Result: Compared with the reference wave, the spectral amplitude of Yunpian Lurong decreases significantly. The frequency - domain spectra of Yunpian Lurong are different from conventional Lurong. Compared with the spectrum of free space, both of them have obvious absorption to THz wave, but the intensity and location of absorption are different, which provides a basis for the identification of Yunpian Lurong. The refractive index of the two samples is obviously different, which may be related to the different internal structure and composition content of the samples. The absorption coefficient of the two samples are different as well, when the frequency ranges from 0 to 2.4 THz, the absorption coefficients of the two kinds of Lurong samples have obvious difference, which makes it easy to distinguish the Yunpian Lurong. Conclusion: This study proves that terahertz spectroscopy can be used as an efficient and convenient method to identify Yunpian Lurong.

THz time-domain spectroscopy of amino acids

The optical characteristics of four kinds of amino acids (tyrosine, arginine, histidine and glutamine) filled with nitrogen at room temperature were studied by THz time-domain spectroscopy (THz-TDS). Well-resolved absorption and refractive spectrums between 0.1 and 2.8 THz were obtained based on the physical model for extract-ing the optical parameters of materials in THz range. The results not only fill up the spectra gap of amino acids in far-infrared range, supply data for amino acid molecular identification and conformation analysis, but also demon-strate significantly potential to promote the research and application of biological materials in bio-chemical and medical fields by THz-TDS.

Applying terahertz time-domain spectroscopy to probe the evolution of kerogen in close pyrolysis systems

Terahertz time-domain spectroscopy (THz-TDS) has been used to probe the evolutionary paths of kerogen in selected black mudstone. The evolutionary regime of kerogens (for instance, the immaturity, early maturity, middle maturity, late maturity, and catagenesis stages) can be indicated by the absorption coefficient in the THz region. The present study of identification based on THz-TDS was in good agreement with programmed pyrolysis experiments and suggests that THz technology can act as a nondestructive, contact-free tool for probing the ability to generate hydrocarbons from kerogens.

Probing the sulfur content in gasoline quantitatively with terahertz time-domain spectroscopy

Terahertz time-domain spectroscopy(THz-TDS)was used for the quantitative detection of sulfur content in gasoline.Models of chemo metrics methods and partial least squares(PLS)were built to measure THz-TDS and the sulfur content.All of the samples were divided into two parts.One part was used for calibration and the other one for validation.In order to evaluate the quality of the models,the correlation coefficient(R)and root-mean-square errors(RMSE)of calibration and validation models were calculated.The value of R and RMSE were close to 1 and 0 within acceptable levels,respectively,indicating that the combination of THz-TDS and PLS is a potential method for further quantitative detection.

Temperature dependence of the point defect properties of GaN thin films studied by terahertz time-domain spectroscopy

The dielectric functions of GaN for the temperature and frequency ranges of 10–300 K and 0.3–1 THz are obtained using terahertz time-domain spectroscopy.It is found that there are oscillations of the dielectric functions at various temperatures.Physically,the oscillation behavior is attributed to the resonance states of the point defects in the material.Furthermore,the dielectric functions are well fitted by the combination of the simple Drude model together with the classical damped oscillator model.According to the values of the fitting parameters,the concentration and electron lifetime of the point defects for various temperatures are determined,and the temperature dependences of them are in accordance with the previously reported result.Therefore,terahertz time-domain spectroscopy can be considered as a promising technique for investigating the relevant characteristics of the point defects in semiconductor materials.

Study on terahertz spectra of SO_2 and H_2S

The spectral characteristics of air pollution gas sulfur dioxide and hydrogen sulfide has been studied experimentally and theo-retically in the range of 0.2-2.6 THz. The gases absorption spectra of sulfur dioxide and hydrogen sulfide, as measured by terahertz Time-Domain Spectroscopy (THz-TDS) technique, show equi-spaced absorption peaks. The peak intervals are varied for different gas and may relate with the molecule structures and rotation modes. We have calculated the intervals of rotational transition frequency according to the gases molecule structure and the rotational modes. The results are consistent with experimental results which confirm the suggestion that the absorption is coming from the molecular rotational transition. The study suggests a technique to detect air pollutants by THz-TDS and the rotational modes of gas molecules.

Temperature-dependent THz vibrational spectra of clenbuterol hydrochloride

Using the high-resolution Terahertz Time-domain spectroscopy (THz-TDS) and the standard sample pellet technique, the far-infrared vibrational spectra of clenbuterol hydrochloride (CH), a 2 -adrenergic agonist for decreasing fat deposition and enhancing protein accretion, were measured in temperature range of 77-295 K. Between 0.2 and 3.6 THz (6.6-120.0 cm-1 ), seven highly resolved spectral features, strong line-narrowing and a frequency blue-shift were observed with cooling. However, ractopamine hydrochloride, with some structural and pharmacological similarities to clenbuterol hydrochloride, showed no spectral features, indicating high sensitivity and strong specificity of THz-TDS. These results could be used for the rapid and nondestructive CH residual detection in food safety control.

Design of terahertz band-stop filter based on a metallic resonator on high-resistivity silicon wafer

In this paper, we present a terahertz (THz) band-stop filter realized by fabricating a metallic T-shaped resonator pattern on the high-resistivity silicon wafer. The filter exhibits two typical band-stop response characteristics depending on the incident direction of electric field with respect to the T-shaped resonator. When the long and the short arms of the T-shaped resonator were electrically polarized by changing the incident THz wave transmission directions, the corresponding central frequencies of the band-stop filter were found to be 0.436 THz at 42dB and 0.610 THz at 28 dB, respectively. Using three-dimensional (3D) finite-integral time-domain simulations, the band-stop filter was designed, which can operate in the wavelength between 0.2 and 0.8 THz. Experimental verification was also performed using a free space THz time-domain spectroscopy system. The band-stop response characteristics are in good agreement with the simulation results. The interesting THz band-stop filtering properties suggest a promising application in the modern THz communication systems, THz time-domain spectroscopic imaging and THz continuous wave imaging.

Terahertz polarization beam splitter based on photonic crystal and multimode interference

We design a compact terahertz(THz) polarization beam splitter. Both plane wave expansion method and finite-difference time-domain method are used to calculate and analyze the characteristics of the proposed device. The designed polarization beam splitter can split TE-polarized and TM-polarized THz waves into different propagation directions. The simulation results show that the extinction ratios are larger than 18.36 dB for TE polarization and 13.35 dB for TM polarization in the frequency range from 1.86 THz to 1.91 THz, respectively. The designed polarization beam splitter has the advantages of small size and compact structure with a total size of 4.825 mm×0.400 mm.

Reflective terahertz tunable polarization controller

This paper proposes an optical device which can continuously change the polarization state of terahertz （THz） waves. The device consists of metal gate, anU-refleetlon coatings, liquid crystal and mirror. By changing the refractive index of liquid crystal in the interface between the metal gate and the mirror, the phase difference between two beams with orthogonal polarization is varied and a continuous phase sliift is achieved. The phase shift of the device is calculated by using the finite difference time domain （FDTD） method, and the transmittance and reflectance are calculated by using the rigorous coupled wave analysis （RCWA） method. The results reveal that the structure can realize continuously tunable phase shift for THz wave at 1 THz.