Inverse hydrogen bonds between SiH_4 and hydrides of Na,Mg and Be

The optimized geometries of the three complexes between MeHn (Me=Na,Mg,Be;n=1 or 2) and SiH4 have been calculated at the B3LYP/6-311++g**,MP2/6-311++g(3df,3pd) and MP2/aug-cc-pvtz levels,respectively.The red-shift inverse hydrogen bonds (IHBs) based on Si-H,an electron donor,were reported.The calculated binding energies with basis set super-position error (BSSE) correction of the three complexes are-5.98,-8.65 and-3.96 kJ mol-1 (MP2/6-311++g(3df,3pd)),respectively,which agree with the results obtained via M...     

SiH_4与Na、Mg和Be等金属氢化物分子间反向氢键相互作用

在B3LYP/6-311++g**、MP2/6-311++g(3df,3pd)及MP2/aug-cc-pvtz水平上分别求得H3SiH…MeHn(Me=Na,Mg,Be;n=1或2)复合物势能面上的3个稳定构型,探讨了以Si-H为电子供体的红移反向氢键相互作用(IHB).经MP2/6-311++g(3df,3pd)水平的计算,在3个复合物中,含基组重叠误差(BSSE)校正的单体间相互作用能分别为-5.98、-8.65和-3.96kJ.mol-1,与MP2/aug-cc-pvtz水平下计算得到的-6.18、-9.12和-4.28kJ·mol-1接近,可见3个反向氢键复合物的相对稳定性顺序为:SiH4...MgH2SiH4...NaHSiH4...BeH2.NBO分析及对相关原子化学位移的计算表明,在复合物中,电子流向总体表现为SiH4→MeHn(n=1或2),且直接参与反向氢键形成的H3的化学位移向低场移动.与传统氢键相比,这里Si1-H3既是氢键供体,又是电子供体,从而形成反向氢键相互作用.另外,采用分子中原子理论(AIM)分别对各复合物中相关键鞍点处的电子密度拓扑性质进行了分析,结果表明3个复合物中均存在以静电性质为主的分子间反向氢键弱相互作用.     

The design and construction of a pulsed beam generation system based on high intensity cyclotron

In order to perform the studies on a pulsed beam generation system based on a high intensity cyclotron, a test beam line with a pulsed beam generation for a 10 MeV compact cyclotron (CYCIAE-10) has been designed and constructed at China Institute of Atomic Energy (CIAE). A 70 MHz continuous H-beam can be pulsed to the pulse length of less than 10 ns with a repetition rate of 4.4 MHz. The sine waveform with a frequency of 2.2 MHz is adopted for the chopper and a mesh structure with single drift and dual gaps is used for the 70 MHz buncher. A helical resonator is designed and constructed based on simulations and experiments on the RF matching for the chopper. A helical inductance loop that is exceptionally large of its kind and equipped with water cooling for the resonator has been successfully wound and a 500 W solid RF amplifier has been manufactured. A special measuring device has been designed, which can be used to measure both the DC beam and the pulsed beam. The required pulsed beam was obtained after pulsed beam tuning.     

A New Method to Analyse Two-Side Tapered Waveguides

We discuss the characters of two-side tapered waveguides. Then, based on some approximations, a simple but practical and efficient method is developed to design the taper waveguide. The results are compared with other methods in a good agreement.     

The design and construction of a pulsed beam generation system based on high intensity cyclotron

In order to perform the studies on a pulsed beam generation system based on a high intensity cyclotron, a test beam line with a pulsed beam generation for a 10 MeV compact cyclotron (CYCIAE-10) has been designed and constructed at China Institute of Atomic Energy (CIAE). A 70 MHz continuous H-beam can be pulsed to the pulse length of less than 10 ns with a repetition rate of 4.4 MHz. The sine waveform with a frequency of 2.2 MHz is adopted for the chopper and a mesh structure with single drift and dual gaps is used for the 70 MHz buncher. A helical resonator is designed and constructed based on simulations and experiments on the RF matching for the chopper. A helical inductance loop that is exceptionally large of its kind and equipped with water cooling for the resonator has been successfully wound and a 500 W solid RF amplifier has been manufactured. A special measuring device has been designed, which can be used to measure both the DC beam and the pulsed beam. The required pulsed beam was obtained after pulsed beam tuning.