偶合常数

氟谱F化学位移及偶合常数

氟谱F化学位移及偶合常数

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19FChemicalShiftsandCouplingConstants

Ifyouhavemeasureda19Fchemicalshiftand/orcoupling

constantthatdoesnotappearinthetablesbelow,andyouwould

likeyourmeasurementtobeincludedhere,contacttheNMR

FacilityStaff.

TableofChemicalShiftRanges

TypeofCompound

ChemicalShiftRange(ppm)

RelativetoneatCFCl3-F-C=O-70to-20-CF3-+40to+80-

CF2-+80to+140-CF-+140to+250-ArF-

+80to+170

ChemicalShiftTable

Forcertaincompounds,thelistedchemicalshiftpertainsto

maryreferencesforthevaluesare:

1)the1991BrukerAlmanac,and

2)CompilationofreportedF19NMRchemicalshifts,1951to

ve

shiftsarethothatappearupfieldofCFCl3andpositiveshifts

arethothatappeardownfield.

Compound

ChemicalShift(ppm)RelativetoneatCFCl3CFCl30.00MeF

-271.9CF3H(inCFCl3)-78.6CF3H(inEtO)-78.6CF2H2-

143.6EtF-213FCH=CH2-114F2C=CH2-81.3F2C=CF2

-135CF3COOH(inCFCl3)

-76.55

CF3COOH(neat)-78.5

CF3COOH(inCCl4-76.3

CF3COOC6H6-73.85

CF3COOCH2C6H6-75.02

CF3COOCH3-74.21

CF3COOEt(neat)-78.7

CF3COO(CH2)n-74to-75C6F6-164.9

C6H5F-113.5

p-FC6H4F-106.0CFH2Ph-207

C6H5CF3-63.72

C4F8-135.15

C5F10-132.9

CF3R-60to-70CHF2OR~-82

(CF3)2CO-84.6

CH2CN-251

F2+422.92CF3Cl-28.6

ClF3+116,-4ClF5+247,+412CF2Cl2-8

CFCl2CFCl2-67.8CFBr3+7.38

CF2Br2+7

IF4F(equatorial)+58.9

IF7+170

AsF3-40.6

AsF5-66

[AsF6]-1-69.5

BF3-131.3(CH3)3-158.3

(C2H5)3-153

[BeF4]-1-163MoF6-278ReF7+345SF6+57.42SO2F-78.5

S2O5F2+47.2SbF5-108[SbF6]-1-109SeF6+55

(C2H5)2SiF2-143.0SiF4-163.3[SiF6]-2-127TeF6-57

WF6+166XeF2+258XeF4+438XeF6+550NF3147SOF2

75.68C6H5SO2F(dilute)65.464C6H5SO2F(20%conc)65.514

SF6(dilute)57.617SF6(10%conc57.42SO2F233.17CBr3F

(dilute)7.388CBr3F(80%conc)7.043CCl2F2-6.848CClF3-28.1

PF3-34.0(CF3)3N(dilute)-55.969(CF3)3N(30%conc)-55.969

CF3CF2CF2I-60.470CF4-62.3C6H5CF3(dilute)-63.732

C6H5CF3(40%conc)-63.370

PF5-71.5

/doc/,l2F(dilute)-

67.775

/doc/,l2F(20%conc)-

67.834

(CF3)3CF-74.625

CF3CO2H(dilute)-76.530

CF3CO2H(20%conc)-76.542

CF3(CF2)5CF3-81.60

CF3(CF2)2CF3-81.85

[CF3CF2CF2]N-85.19

POF3-90.7

CF3CF2CF2CF2CN-107.1

CF3CF2CF2CF2CN-105.764

HomonuclearCouplings

ListedCouplingconstantvaluespertaintoFsshowninbold.

CompoundCouplingConstant(Hz)(CF3CF2)2NCF310.2

(CF3CF2)2NCF315.18

(CF3CF2)2NCF36.8

[CF3CF2]3N13.6

CF3CF2N[CF3]2<1

CF3CF2N[CF3]216

CF3CF2N[CF3]26

(CF3CF2)2O3.4

(CF3]3CF1.4

CF3CF2H2.8

CF3CFH215.5

CF3CF2CHF24.5

CF3CF2CHF27.3

CF3CF2CH2F15.2

CF3CF2CH2F7.9

2F15.1

2F7.7

2F15.5C

2F7.7

2F3.9

21

24

174

18

18

177

13

14

159CFF(SiCl3).CFClBr16.8CFF(SiCl3).CF

ClBr16.8CFF(SiCl3).270.4CFF=CFCl

76

CFF=CFCl(cis)56

CFF=CFCl(trans)116

CFCl=CFCl(cis)37.5CFCl=CFCl(trans)129.57C

FF=CFCF357

CFF=CFCF3(cis)39

CFF=CFCF3(trans)116CFF=CFCF3(trans)8

CFF=CFCF3(cis)22CFF=CFCF313(cyclopropane)CH2.C

3157(cyclobutane)CH2.C

/doc/,l2187(cyclobutene)

(C2H5).CCl2=CCl192(cyclobutane)C

2230(cyclobutane)2

240

(cyclohexane)284