After the geometry optimizations at the B3LYP/6-31＋G（d,p） level, the NMR calculations of a series of 9,10-dihydrophenanthrene analogues have been carried out by GIAO method at the HF/6-31＋G（d） level. The calcula...After the geometry optimizations at the B3LYP/6-31＋G（d,p） level, the NMR calculations of a series of 9,10-dihydrophenanthrene analogues have been carried out by GIAO method at the HF/6-31＋G（d） level. The calculated ^13C NMR chemical shifts are in agreement with the observed values. By a series of linear correlation equations （δpred = a ＋ bδcal.c） of the ^13C chemical shifts, accurate prediction of ^13C chemical shifts was achieved for the new 9,10- dihydrophenanthrene compound, for which the predicted ^13C NMR chemical shifts are in quite good agreement with the experimental values. The linear correlation between δpred and δexptl is excellent, and the square of correlation coefficient, r^2, is up to 0.9973. The maximum absolute difference between δpred and δexptl, △δ, is 4.5 ppm, and the rms error between δpred and δexpt is 2.55 ppm. In the meantime, according to the theoretical predicted result, we could confirm that the new 9,10-dihydrophenanthrene analogue is erianthridin （2,7-dihydroxy-3,4-dimethoxy-9,10-dihydro- phenanthrene）.展开更多
9, 10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide( DOPO)-based flame retardant( DOPO-DOPC) which contains carbon source was used to improve the flame retardancy of poly( ethylene terephthalate)( PET) fabrics. The pr...9, 10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide( DOPO)-based flame retardant( DOPO-DOPC) which contains carbon source was used to improve the flame retardancy of poly( ethylene terephthalate)( PET) fabrics. The prepared DOPODOPC dispersion was applied onto PET fabrics via two kinds of processes,thermosol process and exhaustion process,and in the later using it alone or together with disperse dyes. The flame retardancy of PET fabrics was determined by limiting oxygen index( LOI) and vertical burning test. The results showed that DOPODOPC could obviously improve the flame retardancy of PET fabrics.The PET fabric treated by 60 g/L DOPO-DOPC dispersion via exhaustion process achieved an LOI value of 32. 3%,for example.The flame retardancy and dyeing performances showed that DOPODOPC dispersion could be used together with a part of disperse dyes in one bath. The thermal stability of DOPO-DOPC and the treated PET fabrics were investigated by thermogravimetric analysis( TGA). And the flame retardant mechanism of DOPO-DOPC treated PET fabrics was further investigated by pyrolysis-gas chromatography/mass spectrometry( Py-GC/MS), Fourier transform infrared spectroscopy( FTIR) and scanning electron microscopy( SEM).展开更多
Ni(0)-catalyzed regio-and diastereodivergent[4+2]annulation of biphenylenes withα,βunsaturated ketones is described.This solvent-controlled diastereodivergent reaction integrates C-C bond cleavage of biphenylene and...Ni(0)-catalyzed regio-and diastereodivergent[4+2]annulation of biphenylenes withα,βunsaturated ketones is described.This solvent-controlled diastereodivergent reaction integrates C-C bond cleavage of biphenylene and C=C double bond insertion selectivity,offering a mild approach to all possible diastereoisomers of 9,10-dihydrophenanthrene derivatives from the same starting materials.展开更多
基金supported by the Scientific Research Foundation of Department of Education of Yunnan Province (No. 2010Z035)
文摘After the geometry optimizations at the B3LYP/6-31＋G（d,p） level, the NMR calculations of a series of 9,10-dihydrophenanthrene analogues have been carried out by GIAO method at the HF/6-31＋G（d） level. The calculated ^13C NMR chemical shifts are in agreement with the observed values. By a series of linear correlation equations （δpred = a ＋ bδcal.c） of the ^13C chemical shifts, accurate prediction of ^13C chemical shifts was achieved for the new 9,10- dihydrophenanthrene compound, for which the predicted ^13C NMR chemical shifts are in quite good agreement with the experimental values. The linear correlation between δpred and δexptl is excellent, and the square of correlation coefficient, r^2, is up to 0.9973. The maximum absolute difference between δpred and δexptl, △δ, is 4.5 ppm, and the rms error between δpred and δexpt is 2.55 ppm. In the meantime, according to the theoretical predicted result, we could confirm that the new 9,10-dihydrophenanthrene analogue is erianthridin （2,7-dihydroxy-3,4-dimethoxy-9,10-dihydro- phenanthrene）.
基金National High Technology Research and Development Program 863 Project,China(No.2013AA06A307)
文摘9, 10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide( DOPO)-based flame retardant( DOPO-DOPC) which contains carbon source was used to improve the flame retardancy of poly( ethylene terephthalate)( PET) fabrics. The prepared DOPODOPC dispersion was applied onto PET fabrics via two kinds of processes,thermosol process and exhaustion process,and in the later using it alone or together with disperse dyes. The flame retardancy of PET fabrics was determined by limiting oxygen index( LOI) and vertical burning test. The results showed that DOPODOPC could obviously improve the flame retardancy of PET fabrics.The PET fabric treated by 60 g/L DOPO-DOPC dispersion via exhaustion process achieved an LOI value of 32. 3%,for example.The flame retardancy and dyeing performances showed that DOPODOPC dispersion could be used together with a part of disperse dyes in one bath. The thermal stability of DOPO-DOPC and the treated PET fabrics were investigated by thermogravimetric analysis( TGA). And the flame retardant mechanism of DOPO-DOPC treated PET fabrics was further investigated by pyrolysis-gas chromatography/mass spectrometry( Py-GC/MS), Fourier transform infrared spectroscopy( FTIR) and scanning electron microscopy( SEM).
基金supported by the National Natural Science Foundation of China (Nos. 21801067, U1804283, 21801066)the Central Plains Scholars and Scientists Studio Fund (No. 2018002)+2 种基金the Project funded by the Natural Science Foundation of Henan (Nos. 202300410225, 212300410181, 222102310562 and 201901023)China Postdoctoral Science Foundation (Nos. 2020T130176 and 2020M682306)financial support from Henan Key Laboratory of Organic Functional Molecules and Drug Innovation
文摘Ni(0)-catalyzed regio-and diastereodivergent[4+2]annulation of biphenylenes withα,βunsaturated ketones is described.This solvent-controlled diastereodivergent reaction integrates C-C bond cleavage of biphenylene and C=C double bond insertion selectivity,offering a mild approach to all possible diastereoisomers of 9,10-dihydrophenanthrene derivatives from the same starting materials.
