Hydrogen bonding interaction in hydrogen fluoride dimer has been investigated by quan- tum-chemical calculation with 6-311G^(**) basis set at various mutual orientations.Atomic charges and charge transfer have been ca...Hydrogen bonding interaction in hydrogen fluoride dimer has been investigated by quan- tum-chemical calculation with 6-311G^(**) basis set at various mutual orientations.Atomic charges and charge transfer have been calculated by means of potential-derived method,and decomposition of hydro- gen bonding interaction has been executed.The calculation results show that there is a variation range for the energy-stable orientations,the charge transfer in the range presents maximum value,and the charge transfer interaction plays a decisive role in the hydrogen bonding.展开更多
This paper reports that the film composed of flower-like ZnO micro-spheres, which consists of nano-sheets, is fab- ricated by chemical bath deposition. By adding hydrogen fluoride （HF） into the reaction solution, wh...This paper reports that the film composed of flower-like ZnO micro-spheres, which consists of nano-sheets, is fab- ricated by chemical bath deposition. By adding hydrogen fluoride （HF） into the reaction solution, which contains zinc nitrate hexahydrate and hexamethylenetetramine, the ZnO crystal growth process is changed and the film composed by ZnO micro-spheres is obtained after keeping the reaction solution at 95 ℃ for 2 h. The morphology, crystal phase and wettahility of the sample axe characterized by scanning electron microscope, x-ray diffraction and contact angle meter, respectively. The results show that the filrrl has the micro-nano compound structure. After modification with heptadecafluorodecyltrimethoxy-silane, the wettability of the film changed from superhydrophilicity to superhydropho-bicity, on which water contact angle and the sliding angle are 154° and less than 5° for 8-μL water droplet, respectively. Additionally, the formation mechanism of the ZnO micro-sphere is also discussed.展开更多
基金This work was supported by research grant from the Open Laboratory of Staticaland Dynamical Structure(China)the National Institutes of Health(GM 37453,USA)
文摘Hydrogen bonding interaction in hydrogen fluoride dimer has been investigated by quan- tum-chemical calculation with 6-311G^(**) basis set at various mutual orientations.Atomic charges and charge transfer have been calculated by means of potential-derived method,and decomposition of hydro- gen bonding interaction has been executed.The calculation results show that there is a variation range for the energy-stable orientations,the charge transfer in the range presents maximum value,and the charge transfer interaction plays a decisive role in the hydrogen bonding.
基金Project supported by the National Natural Science Foundation of China (Grant No. 50872129)Natural Science Foundation of Anhui Province of China (Grant No. 070414187)
文摘This paper reports that the film composed of flower-like ZnO micro-spheres, which consists of nano-sheets, is fab- ricated by chemical bath deposition. By adding hydrogen fluoride （HF） into the reaction solution, which contains zinc nitrate hexahydrate and hexamethylenetetramine, the ZnO crystal growth process is changed and the film composed by ZnO micro-spheres is obtained after keeping the reaction solution at 95 ℃ for 2 h. The morphology, crystal phase and wettahility of the sample axe characterized by scanning electron microscope, x-ray diffraction and contact angle meter, respectively. The results show that the filrrl has the micro-nano compound structure. After modification with heptadecafluorodecyltrimethoxy-silane, the wettability of the film changed from superhydrophilicity to superhydropho-bicity, on which water contact angle and the sliding angle are 154° and less than 5° for 8-μL water droplet, respectively. Additionally, the formation mechanism of the ZnO micro-sphere is also discussed.
