氟谱F19化学位移及偶合常数

1、19F Chemical Shifts and Coupling ConstantsIf you have measured a 19F chemical shift and/or coupling constant that does not appear in the tables below, and you would like your measurement to be included here, contact the NMR Facility Staff. Table of Chemical Shift RangesType of CompoundChemical Shift

2、 Range (ppm)Relative to neat CFCl3-F-C=O-70 to -20-CF3-+40 to +80-CF2-+80 to +140-CF-+140 to +250-ArF-+80 to +170Chemical Shift Table For certain compounds, the listed chemical shift pertains to the F shown in bold. The primary references for these values are:1) the 1991 Bruker Almanac, and2) Compil

3、ation of reported F19 NMR chemical shifts, 1951 to mid-1967 by Claude H. Dungan and John R. Van Wazer. Negative shifts are those that appear upfield of CFCl3 and positive shifts are those that appear downfield. CompoundChemical Shift (ppm)Relative to neat CFCl3CFCl30.00MeF-271.9CF3H (in CFCl3)-78.6C

4、F3H (in EtO)-78.6CF2H2-143.6EtF-213FCH=CH2-114F2C=CH2-81.3F2C=CF2-135CF3COOH (in CFCl3)-76.55CF3COOH (neat)-78.5CF3COOH (in CCl4-76.3CF3COOC6H6-73.85CF3COOCH2C6H6-75.02CF3COOCH3-74.21CF3COOEt (neat)-78.7CF3COO(CH2)n-74 to -75C6F6-164.9C6H5F-113.5p-FC6H4F-106.0CFH2Ph-207C6H5CF3-63.72C4F8-135.15C5F10-

5、132.9CF3R-60 to -70CHF2OR-82(CF3)2CO-84.6CH2CN-251F2+422.92CF3Cl-28.6ClF3+116, -4ClF5+247,+412CF2Cl2-8CFCl2CFCl2-67.8CFBr3+7.38CF2Br2+7IF4F(equatorial)+58.9IF7+170AsF3-40.6AsF5-66AsF6-1-69.5BF3-131.3(CH3)2O.BF3-158.3(C2H5)2O.BF3-153BeF4-1-163MoF6-278ReF7+345SF6+57.42SO2F-78.5S2O5F2+47.2SbF5-108SbF6-

6、1-109SeF6+55(C2H5)2SiF2-143.0SiF4-163.3SiF6-2-127TeF6-57WF6+166XeF2+258XeF4+438XeF6+550NF3147SOF275.68C6H5SO2F (dilute)65.464C6H5SO2F (20% conc)65.514SF6 (dilute)57.617SF6 (10% conc57.42SO2F233.17CBr3F (dilute)7.388CBr3F (80% conc)7.043CCl2F2-6.848CClF3-28.1PF3-34.0(CF3)3N (dilute)-55.969(CF3)3N (30

7、% 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)2CF3-81.85CF3CF2CF2N-85.19POF3-90.7CF3CF2CF2CF2CN-107.1CF3CF

8、2CF2CF2CN-105.764Homonuclear CouplingsListed Coupling constant values pertain to Fs shown in bold. CompoundCoupling Constant (Hz)(CF3CF2)2NCF310.2(CF3CF2)2NCF315.18(CF3CF2)2NCF36.8CF3CF23N13.6CF3CF2NCF32<1CF3CF2NCF3216CF3CF2NCF326(CF3CF2)2O3.4(CF33CF1.4CF3CF2H2.8CF3CFH215.5CF3CF2CHF24.5CF3CF2CHF2

9、7.3CF3CF2CH2F15.2CF3CF2CH2F7.9CF2Cl.CF2.CH2F15.1CF2Cl.CF2.CH2F7.7CF2Cl.CF2.CH2F3.9CF2Br.CF2.CH2F15.5CF2Br.CF2.CH2F7.7CF2Br.CF2.CH2F3.9CFFBr.CHFBr21CFFBr.CHFBr24CFFBr.CHFBr174CFFBr.CHFCl18CFFBr.CHFCl18CFFBr.CHFCl177CFFBr.CFClBr13CFFBr.CFClBr14CFFBr.CFClBr159CFF(SiCl3).CFClBr16.8CFF(SiCl3).CFClBr16.8CFF(SiCl3).CFClBr343CF3.CFF.CFICl270.4CFF=CFCl76CFF=CFCl (cis)56CFF=CFCl (trans)116CFCl=CFCl (cis)37.5CFCl=CFCl (trans)129.57CFF=CFCF357CFF=CFCF3 (cis) 39CFF=CFCF3 (trans)116CFF=CFCF3 (trans)8CFF=CFCF3 (cis)22CFF=CFCF313(cyclopropane) CH2.CFF.CHCH3157(cyclobutane) CH2.CFF.CCl2.C