19fnmr和31pnmr化学位移基础数据(含偶合常数)

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1、19FNMR和31PNMR化学位移基础数据(含偶合常数))TableofChemicalShiftRangesTypeofCompoundChemicalShiftRange(ppm)RelativetoneatCFCl3-F-C=O-70to-20-CF3-+40to+80-CF2-+80to+140-CF-+140to+250-ArF-+80to+170ChemicalShiftTableForcertaincompounds,thelistedchemicalshiftpertainstotheFshowninbold.Theprimaryreference

2、sforthesevaluesare:1)the1991BrukerAlmanac,and2)CompilationofreportedF19NMRchemicalshifts,1951tomid-1967byClaudeH.DunganandJohnR.VanWazer.NegativeshiftsarethosethatappearupfieldofCFCl3andpositiveshiftsarethosethatappeardownfield.CompoundChemicalShift(ppm)RelativetoneatCFCl3CFCl30.00MeF

3、-271.9CF3H(inCFCl3)-78.6CF3H(inEtO)-78.6CF2H2-143.6EtF-213FCH=CH2-114F2C=CH2-81.3F2C=CF2-135CF3COOH(inCFCl3)-76.55CF3COOH(neat)-78.5CF3COOH(inCCl4-76.3CF3COOC6H6-73.85CF3COOCH2C6H6-75.02CF3COOCH3-74.21CF3COOEt(neat)-78.7CF3COO(CH2)n-74to-75C6F6-164.9C6H5F-113.5p-FC6H4F-106.0CFH2Ph-207

4、C6H5CF3-63.72C4F8-135.15C5F10-132.9CF3R-60to-70CHF2OR~-82(CF3)2CO-84.6CH2CN-251F2+422.92CF3Cl-28.6ClF3+116,-4ClF5+247,+412CF2Cl2-8CFCl2CFCl2-67.8CFBr3+7.38CF2Br2+7IF4F(equatorial)+58.9IF7+170AsF3-40.6AsF5-66[AsF6]-1-69.5BF3-131.3(CH3)2O.BF3-158.3(C2H5)2O.BF3-153[BeF4]-1-163MoF6-278ReF

5、7+345SF6+57.42SO2F-78.5S2O5F2+47.2SbF5-108[SbF6]-1-109SeF6+55(C2H5)2SiF2-143.0SiF4-163.3[SiF6]-2-127TeF6-57WF6+166XeF2+258XeF4+438XeF6+550NF3147SOF275.68C6H5SO2F(dilute)65.464C6H5SO2F(20%conc)65.514SF6(dilute)57.617SF6(10%conc57.42SO2F233.17CBr3F(dilute)7.388CBr3F(80%conc)7.043CCl2F2-

6、6.848CClF3-28.1PF3-34.0(CF3)3N(dilute)-55.969(CF3)3N(30%conc)-55.969CF3CF2CF2I-60.470CF4-62.3C6H5CF3(dilute)-63.732C6H5CF3(40%conc)-63.370PF5-71.5CCl2F.CCl2F(dilute)-67.775CCl2F.CCl2F(20%conc)-67.834(CF3)3CF-74.625CF3CO2H(dilute)-76.530CF3CO2H(20%conc)-76.542CF3(CF2)5CF3-81.60CF3(CF2)

7、2CF3-81.85[CF3CF2CF2]N-85.19POF3-90.7CF3CF2CF2CF2CN-107.1CF3CF2CF2CF2CN-105.764HomonuclearCouplingsListedCouplingconstantvaluespertaintoFsshowninbold.CompoundCouplingConstant(Hz)(CF3CF2)2NCF310.2(CF3CF2)2NCF315.18(CF3CF2)2NCF36.8[CF3CF2]3N13.6CF3CF2N[CF3]2<1CF3CF2N[CF3]216CF3CF2N[CF3]

8、26(CF