Synthesis, Crystal Structure and Spectrum Properties of Trinuclear Manganese Coordination Compound Mn_3(2,2'-bipy)_2(3,5-DMBA)_6

A novel complex Mn3（2,2＇-bipy）ff3,5-DMBA）6 with 3,5-dimethylbenzoic acid （3,5-DMBA） and 2,2＇-bipyridine （2,2＇-bipy） has been synthesized by means of a solvent method. It crystallizes in the monoclinic space group C2/c with a = 3.1118（6）, b = 1.1754（2）, c = 2.0887（4） nm, β = 118.50（3）°, V= 6.714（2） nm3, Dc = 1.384 g/cm3, Z = 8, F（000） = 2912, the final GOOF = 1.078, R = 0.0691 and wR = 0.1455. The crystal structure shows that the three coordinated manganese（II） ions lie in a line with the middle one as the symmetric center. The distance between the central manganese（II） and the symmetric one is 0.3549 nm. There exist two coordination modes for the three manganese （II） ions： the symmetric manganese（II） ions are coordinated with three oxygen atoms and two nitrogen atoms from three 3,5-DMBA molecules and one 2,2＇-bipy molecule, respectively, forming a distorted square-pyramidal coordination geometry; the middle manganese（II） ion is coordinated with six oxygen atoms from six 3,5-DMBA molecules, generating a distorted octahedral coordination geometry. Spectrum properties of the complex were also studied.

Hydrothermal Synthesis,Crystal Structure,Spectrum Properties and Quantum Chemical Calculation of a Trinuclear Copper(Ⅱ) Complex with 3-(Pyridin-2-yl)-1,2,4-triazole

A three-dimensional framework copper（Ⅱ） coordination polymer with copper carbonate basic and 3-（pyridin-2-yl）-1,2,4-triazole （Hpt） has been hydrothemally synthesized.The complex （2,C14 H10 CuN8 ·3H2 O） crystallizes in tetragonal,space group P4 2 /n,a=2.08581（12）,b=2.08581（12）,c=0.72331（4） nm,M r=761.73,V=3.1468（3） nm 3,Dc=1.608 g/cm 3,Z=4,F（000）=1552,GOOF=1.07,R=0.0515 and wR=0.1689.Every asymmetric unit molecular structure of the complex is composed with one copper ion,one and half water molecules and two Hpt molecules.Each copper ion is coordinated with five nitrogen atoms from four Hpt molecules,forming a distorted square pyramidal geometry.The fluorescence spectrum analysis shows that the title complex at room temperature exhibits intense photoluminescence with maximum emission at 450 nm.The quantum chemistry calculation study on the complex has been performed.The stability,some frontier molecular orbital energies and composition characteristics of some frontier molecular orbitals of the complex have been investigated.

Crystal Structure and Spectrum Properties of a Manganese Complex with Schiff Base Ligand,Mn (bzacen) (pyrimidine) (NCS)

The title complex C_(27)H_(26)MnN_5O_2S (M_r= 539. 53 ) crystallizes in monoclinic system, space group P2_1/α with α = 8. 357 (2) A, b = 19. 077 (4) A . c = 16. 267(3) A, β=95. 85(2)°, V=2580(2) A￣3, Z=4, F(000) = 1120, D_c= 1. 39 g/ cm￣3 and μ=0. 601 mm￣(-1)(MoKα). The final R and R_w are 0. 0638 and 0. 0876, respectively. The coordination geometry around Mn atom is a distorted octahedron with a equatorial plane N_2O_2 from the Schiff base ligand bzacen￣(2-), the axial atoms being two nitrogen atoms from a thiocyanate and a pyrimidine ligand. The shifts of v_c=N, v_c=O and v_c=C to lower frequencies in IR and Raman spectra indicate that the ligand bzacen￣(2-) has been coordinated to Mn atom through its nitrogen and oxygen atoms. The lines assigned to Mn-O and Mn-N vibrations were found in Raman spectrum. There is π～π￣* transition, d～π￣* charge-transfer transitions and d～d￣* transitions in electronic spectrum. The current potential curve in acetontrile reveals that Mn(Ⅲ)is in stable valence state.

Statistical properties of the photoelectron energy spectrum generated by an intense laser pulse and a continuous X-ray

This study shows that the photoelectron energy spectrum generated by an intense laser pulse in the presence of a continuous X-ray has interesting and useful statistical properties. The total photoionization production is linearly propor- tional to the time duration of the laser pulse and the square of the beam size. The spectral double energy-integration is an intrinsic value of the laser-assisted X-ray photoionization, which linearly depends on the laser intensity and which quantita- tively reflects the strengths of the laser-field modulation and the quantum interference between photoelectrons. The spectral energy width also linearly depends on the laser intensity. These linear relationships suggest new methods for the in-situ measurement of laser intensity and pulse duration with high precision.

Spectral energetic properties of the X-ray-boosted photoionization by an intense few-cycle laser

We report a discovery that an intense few-cycle laser pulse passing through gas leaves a fingerprint of its field en- velope on the photoelectron energy spectrum, which involves continuous X-ray radiations. The spectrum resulting from the photoionization processes includes significant quantum enhancement and interference and exhibits interesting energetic properties. The spectral cut-off energies reflect the strength, time, and interference of the laser field modulation on the photoelectron energy. These energetic properties suggest a new method for precise intense-laser-pulse measurement in situ. The method has the advantages of accuracy, simplicity, speed, and large dynamic ranges （up to many orders of intensity）.

Test and Analysis of an Existing Tunnel Vibration Induced by Blasting Construction of Diaphragm Wall

According to the blasting construction of the diaphragm wall of Puxi approaching section of East Fuxing Road river-crossing tunnel, the monitoring project of the vibration of the existing tun-nel induced by the blasting construction is put forward, which includes the sensors’ location, moni-tor method and the vibration monitoring system. Based on the monitoring data of the explosion vibration, the vibration wave forms, velocities, acceleration responses, main frequencies and fields of measure points are analyzed under the conditions of three locations and different charge quanti-ties. According to the safety-judging standard of explosion vibration, the conclusion that the exist- ing tunnel is safe under the explosion vibration is then drawn. Furthermore, the spectrum character-istics of three explosion vibrations and the spectrum changing properties of explosion vi-bration wave transmitting in different directions are concluded, which can provide reference to similar projects.

Elastic, dynamical, and electronic properties of LiHg and Li3Hg： First-principles study

The elastic, dynamical, and electronic properties of cubic LiHg and Li3Hg were investigated based on first-principles methods. The elastic constants and phonon spectral calculations confirmed the mechanical and dynamical stability of the materials at ambient conditions. The obtained elastic moduli of LiHg are slightly larger than those of Li3Hg. Both LiHg and Li3Hg are ductile materials with strong shear anisotropy as metals with mixed ionic, covalent, and metallic interactions. The calculated Debye temperatures are 223.5 K and 230.6 K for LiHg and Li3Hg, respectively. The calculated phonon frequency of the T2g mode in Li3Hg is 326.8 cm-1. The p states from the Hg and Li atoms dominate the electronic structure near the Fermi level. These findings may inspire further experimental and theoretical study on the potential technical and engineering applications of similar alkali metal-based intermetallic compounds.