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） c...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.展开更多
Using optimal interpolation data assimilation of observed wave spectrum around Northeast coast of Taiwan Island, the typhoon driven wave nowcasting model in Southeast China Sea is setup. The SWAN (simulating waves nea...Using optimal interpolation data assimilation of observed wave spectrum around Northeast coast of Taiwan Island, the typhoon driven wave nowcasting model in Southeast China Sea is setup. The SWAN (simulating waves nearshore) model is used to calculate wave field and the input wind field is the QSCAT/NCEP (Quick Scatterometer/National Centers for Environmental Prediction) data. The two-dimensional wavelet transform is applied to analyze the X-band radar image of nearshore wave field and it reveals that the observed wave spectrum has shoaling characteristics in frequency domain. The reverse calculation approach of wave spectrum in deep water is proposed and validated with experimental tests. The two-dimensional digital low-pass filter is used to obtain the initialization wave field. Wave data during Typhoon Sinlaku is used to calibrate the data assimilation parameters and test the reverse calculation approach. Data assimilation corrects the significant wave height and the low frequency spectra energy evidently at Beishuang Station along Fujian Province coast, where the entire assimilation indexes are positive in verification moments. The nowcasting wave field shows that the present model can obtain more accurate wave predictions for coastal and ocean engineering in Southeast China Sea.展开更多
基金Supported by the Natural Science Foundation of Hunan Province (No. 11JJ9006)Science and Technology Committee of Hengyang (2011kj25)
文摘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.
基金supported by the Commonweal Program of Chinese Ministry of Water Resources( No.200901062)the National Natural Science Foundation of China ( No.50979033)the Research Fund of State Key Laboratory of Hydrology-Water Resources and Hydraulic Engineering ( No. 2009585812 and No. 2008491011)
文摘Using optimal interpolation data assimilation of observed wave spectrum around Northeast coast of Taiwan Island, the typhoon driven wave nowcasting model in Southeast China Sea is setup. The SWAN (simulating waves nearshore) model is used to calculate wave field and the input wind field is the QSCAT/NCEP (Quick Scatterometer/National Centers for Environmental Prediction) data. The two-dimensional wavelet transform is applied to analyze the X-band radar image of nearshore wave field and it reveals that the observed wave spectrum has shoaling characteristics in frequency domain. The reverse calculation approach of wave spectrum in deep water is proposed and validated with experimental tests. The two-dimensional digital low-pass filter is used to obtain the initialization wave field. Wave data during Typhoon Sinlaku is used to calibrate the data assimilation parameters and test the reverse calculation approach. Data assimilation corrects the significant wave height and the low frequency spectra energy evidently at Beishuang Station along Fujian Province coast, where the entire assimilation indexes are positive in verification moments. The nowcasting wave field shows that the present model can obtain more accurate wave predictions for coastal and ocean engineering in Southeast China Sea.
