氟谱F19化学位移及偶合常数.docx
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氟谱F19化学位移及偶合常数.docx
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氟谱F19化学位移及偶合常数
19FChemicalShiftsandCouplingConstants
Ifyouhavemeasureda19Fchemicalshiftand/orcouplingconstantthat
doesnotappearinthetablesbelow,andyouwouldlikeyourmeasurement
tobeincludedhere,contacttheNMRFacilityStaff.
TableofChemicalShiftRanges
ChemicalShiftRange(ppm)
TypeofCompound
RelativetoneatCFCl3
-F-C=O-70to-20
+40to+80-CF3-
+80to+140-CF2-
+140to+250-CF-
+80to+170
-ArF-
ChemicalShiftTable
Forcertaincompounds,thelistedchemicalshiftpertainstotheFshown
inbold.Theprimaryreferencesforthesevaluesare:
1)the1991BrukerAlmanac,and
2)CompilationofreportedF19NMRchemicalshifts,1951tomid-1967by
ClaudeH.DunganandJohnR.VanWazer.
NegativeshiftsarethosethatappearupfieldofCFCl3andpositiveshifts
arethosethatappeardownfield.
ChemicalShift(ppm)Compound
RelativetoneatCFCl3
0.00CFCl3
-271.9MeF
-78.6CF3H(inCFCl3)
-78.6CF3H(inEtO)
-143.6CF2H2
-213EtF
-114FCH=CH2
-81.3F2C=CH2
-135F2C=CF2
-76.55CF3COOH(inCFCl3)
-78.5
CF3COOH(neat)
CF3COOH(inCCl4-76.3
-73.85CF3COOC6H6
-75.02CF3COOCH2C6H6
-74.21CF3COOCH3
-78.7CF3COOEt(neat)
-74to-75CF3COO(CH2)n
-164.9C6F6
-113.5C6H5F
-106.0p-FC6H4F
-207CFH2Ph
-63.72C6H5CF3
-135.15C4F8
-132.9C5F10
-60to-70CF3R
~-82CHF2OR
-84.6(CF3)2CO
-251CH2CN
+422.92F2
-28.6CF3Cl
+116,-4ClF3
+247,+412ClF5
-8CF2Cl2
-67.8CFCl2CFCl2
+7.38CFBr3
+7CF2Br2
+58.9(equatorial)IF+170IF7
-40.6AsF3
-66AsF5
-69.5[AsF6]-1
-131.3BF3
-158.3(CH3)2O.BF3
-153(C2H5)2O.BF3
-163
[BeF4]-1
MoF6-278
+345ReF7
+57.42SF6
-78.5SO2F
+47.2S2O5F2
-108SbF5
-109[SbF6]-1
+55SeF6
-143.0(C2H5)2SiF2
-163.3SiF4
-127[SiF6]-2
-57TeF6
+166WF6
+258XeF2
+438XeF4
+550XeF6
147NF3
75.68SOF2
65.464C6H5SO2F(dilute)
65.514C6H5SO2F(20%conc)
57.617SF6(dilute)
57.42SF6(10%conc
33.17SO2F2
7.388CBr3F(dilute)
7.043CBr3F(80%conc)
-6.848CCl2F2
-28.1CClF3
-34.0PF3
-55.969(CF3)3N(dilute)
-55.969(CF3)3N(30%conc)
-60.470CF3CF22I
-62.3CF4
-63.732C6H5CF3(dilute)
-63.370
C6H5CF3(40%conc)
PF5-71.5
CCl2F.CCl2F(dilute)-67.775
CCl2F.CCl2F(20%conc)-67.834
(CF3)3CF-74.625
-76.530CF3CO2H(dilute)
-76.542CF3CO2H(20%conc)
-81.603CF3(CF2)5C-81.85CF3(CF2)23
-85.19[CF3CF22]N
-90.7POF3
-107.1CF3CF22CF2CN
-105.764
2CN
CF3CF2CF2FHomonuclearCouplings
ListedCouplingconstantvaluespertaintosshowninbol.
Compound
CouplingConstant(Hz)
10.2F2)2NCF3(CF3C15.182)2NCF3F(CF3C6.8F3(CF3CF2)2NC13.62]3N[CF3CF<1CF2N[CF3]23CF162N[CF3]2CF3CF63]2CF3CF2N[CF3.4(CF3C2)2OF1.43]3C(CFF2.82H3CFFC15.5H2CF3CF4.5FFCF3C2CH2
7.323CF2CHCFF15.22CH2FFCF3C7.9CFF3CF2CH215.1FFCF2Cl.C2.CH27.7
F2Cl.CF2.CH2FC.
CF2Cl.CF2.CH2F3.9
15.5F2.CH2FCF2Br.C7.72Br.CF2.CH2FCF3.92.CH2F2Br.CCFF21CFFBr.CHFBr
24BrFBr.CHFCF174CFFBr.CHFBr
18ClCFFBr.CHF18CFFBr.CHFCl
177Br.CHFClCFF13ClBrFCFFBr.C14FBr.CFClBrCF159FFCBr.CFClBr
16.8ClBrCFF(SiCl3).CF16.8CFClBrFF(SiCl3).C343(SiCl3).CFClBrCFF270.4CF3.CFF.CFICl
76=CFClCFF56CFF=CFCl(cis)
116=CFFCl(trans)CF37.5Cl(cis)FCCl=CF129.57Cl(trans)FCl=CFC57=CFCF3FFC39CF3(cis)FF=CFC116FFCF=CFC3(trans)
8FCF3(trans)=CCFF22F=CFC3(cis)FCF13CFF=CFF3
C157(cyclopropane)CH2.CFF.CHCH3
187(cyclobutane)CH2.CFF.CCl2.CCl2
(cyclobutene)CFF.CH(C2H5).CCl2=CCl192
230FF(cyclobutane)C.CFF.CH2.CHCClH2
240
(cyclobutane)CFF.CFF.CH2.CHCClH2
284
FF(cyclohexane)CFH.CFH.CFH.CFH.CFH.C.
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