274
6.1.10 Reference Compounds
Chemical Shifts of Reference Compounds Relative to External Nitromethane
(δ in ppm)
Reference compound
True
value a
Calculated || b
Calculated |
–
c
Ref. [2] Ref. [6]
NH 3 neat, 25 o C
-381.9
-380.2 d
-380.2
-380.2
NH 3 gas, 0.5 MPa
-396.1
NH 4 NO 3 , satd. in H 2 O
(NH 4
+ )
-359.6
-361.0
-358.9
-359.5
NH 4 NO 3 , satd. in H 2 O
(NO 3
– )
-4.0
-5.4
-3.3
-3.9
-4.0
NH 4 NO 3 , 5 M in 2 M
HNO 3 (NH 4
+ )
-359.0
-360.4
-358.3
NH 4 NO 3 , 5 M in 2 M
HNO 3 (NO 3
– /HNO 3 )
-4.6
-6.0
-3.9
NH 4 Cl, satd. in H 2 O
-352.9
-354.7
-352.1
-352.9
-352.9
(CH 3 ) 4 N + Cl – , satd. in H 2 O
-336.7
(CH 3 ) 4 N + Cl – , 0.3 M in H 2 O
-337.7
-339.1
-337.0
(CH 3 ) 4 N + I – , 0.3 M in H 2 O
-337.3
-338.7
-336.6
(C 2 H 5 ) 4 N + Cl – , satd. in H 2 O
-336.7
HNO 3 100% (15.7 M)
-31.3
-31.3
HNO 3 , 1 M in H 2 O
-4.4
-5.9
-3.7
-4.4
HNO 3 , 1 M in D 2 O
-6.2
NaNO 3 , satd. in H 2 O
-3.7
-5.1
-3.0
-3.7
N,N-Dimethylformamide
(neat)
-276.4
N,N,N',N'-Tetramethylurea
(neat)
-317.7
a Measured in a spherical probe within a centered spherical reference container [5]
b For a capillary parallel to the magnetic field [1]
c For a capillary perpendicular to the magnetic field [1]
d Measured value
Heteronuclear NMR Spectroscopy
6