1H - NMR Spectros

“1H – NMR Spectroscopy”
Theory & Applications in structure assignment to

organic compounds
Dr D I Brahmbhatt
Professor of Chemistry
Department of Chemistry
Sardar Patel University
Vallabh Vidyanagar – 388 120.
Email: drdibrahmbhatt@gmail.com
Mob: 09427547665
Department of Chemistry, SPU, VVN Dr D I Brahmbhatt
NMR Spectroscopy
1. Proton (1H) nuclear magnetic resonance (PMR or

1H – NMR)
2. Carbon (13 C) nuclear magnetic resonance (13C –

NMR)
3. Two Dimensional NMR (2D - NMR)

• Nuclear magnetic resonance (NMR) spectroscopy
is basically another form of absorption
spectroscopy.
• Under appropriate conditions in a magnetic field ,
a molecule can absorb radio frequency.
• Absorption is a function of certain nuclei in
molecule.
• A plot of the frequencies of the absorption peaks
versus intensities constitutes a NMR spectrum.

Nuclear magnetic
dipole
Spinning proton
Proton precessing in magnetic field B0

Atomic
Number
Odd or even
34
16 S (O)

• When spin quantum number I = 0, No NMR.
• Spin quantum number determines the orientation
of a nuclei in a uniform external magnetic field.
Orientation = 2I + 1
• For proton I = ½ , thus orientation = 2
Spin = - 1/2
E
I = 1/2
Spin = + 1/2
B0

• Two energy levels so transition is possible.
• The required energy for transition is correlated
with magnetic field by fundamental NMR
equation.
υ = γ Bo / 2П
υ = radio frequency
γ = constant (magnetogyric ratio)
[for proton it is 26750]
Bo = Applied magnetic field
Resonance condition : (For proton)
In a field of 14092 gauss the required frequency is 60 MHz
In a field of 2.33 Tesla (T) the required frequency is 100 MHz
(1 Tesla = 104 gauss)
Absorption of radiation
Downfield direction
Signal
Low field High field

Magnetic field sweep
Principally all the protons in organic compounds will give

only one signal.
All protons absorb at same effective field but, do not
absorb at same applied field due to different
environments of the protons and hence number of signals
are observed in the NMR.
Aspects of NMR
• Number of signals
• Position of signals – chemical shifts
• Peak area
• Splitting of signals – spin-spin splitting

Number of Signals :
• Tells us how many kinds of protons are present in
molecule.
• Equivalent protons : Protons with same environment.
• Non-Equiv. protons : Protons with different
environment
• Examples :

Cl
H3C CH CH3 H3C CH2 CH2 Cl H3C H

a b
a b a a b c H3C H
Two signals Three signals a Two signals b
H 3C H H H CH 3
a b a b b
Br H Cl H
H H H
c c
Three signals Three signals c c
H H
c d d
Cl H Four signals
H 3C Cl
H 3C CH 3
a H H
b b
b d a
Two signals a
Four signals
One signal
Chemical Shift
• Tells us what kind of protons are present in molecule
viz. aromatic, aliphatic, primary, secondary, tertiary,
benzylic, vinylic, acetylenic, adjacent to halogen or
heteroatom.
• Such shift are observed due to shielding and
deshielding of protons.
• Circulation of electrons (П electrons) about nearly
nuclei generates induced magnetic field that can either
oppose or reinforce the applied magnetic field.
• When induced magnetic field opposes the applied
magnetic field it shields.

• When induced magnetic field reinforces the applied
magnetic field it deshields.
• Shielded protons require higher applied field
i.e. shielding upfields absorption.
• Deshielded protons require lower applied field
i.e. deshielding downfields absorption.
H H
CH 3 H H
H 3C Si CH 3 H H
H H H
CH 3 H H
H H H
TMS
(Tetra methyl silane) H H
0.0 δ H H
[18] Annulene
Outer protons = 9.3 δ Inner protons = - 3.0 δ
Measurement of Chemical Shift
• Reference Material : TMS (Tetra Methyl Silane )
1. Inert
CH 3 2. All equivalent protons.
H 3C Si CH 3 3. Volatile (b.p. : 27°C)
4. Soluble in common org. solvents.
CH 3
5. Used as external ref. when sample
TMS are scanned in D2O.
(Tetra methyl silane) 6. Low electronegativity of silicon.
Hence most shielded protons.

• All compounds absorb downfield to TMS. (Exception, inner
protons of [18] Annulene )

• Internal reference for samples scanned in D2O is methyl protons
of DSS
Sodium 2,2-dimethyl-2-silapentane-5-sulfonate
CH 3
H 3C Si CH2 CH 2 CH 2 SO3Na
CH 3
• Chemical shifts are expressed in δ ppm ( ppm = parts per million)

Observed shift (Hz) x 106
δ= Operating frequency
e.g. for 60MHz,
Observed shift (Hz) x 106
δ= 60 x 106
( 106 Hz = 1 MHz )
δ is independent of operating frequency

e.g. for a peak at 60 Hz from TMS in Same signal in 100 MHz will be
60MHz will have at 100 Hz from TMS, thus,
60 x 106 100 x 10 6
δ = 60 x 106 = 1 δ= 6
=1
100 x 10
R- CHO
R - OH
Ar - OH

Induced magnetic field
Deshielding of proton
Splitting of signals
• Splitting due to environment of protons not with respect to
electrons but, with respect to other near by (adjacent) protons.
H3C CH2 Br H3C CH Br2 CH2Br CHBr2
a b a b a b
a = triplet a = doublet a = doublet
b = quartet b = quartet b = triplet
Splitting = n + 1 , where , n = nearby (adjacent) protons

Applied
field
Signal from
uncoupled proton
Spin combinations
Ho
for adjacent -- CH
Spin-spin coupling, Coupling with one proton gives a 1 : 1
doublet.
Applied
field
Signal from
uncoupled proton
Ho
Spin combinations
for adjacent -- CH2
Spin-spin coupling, Coupling with two protons give a 1 : 2 : 1

triplet.
No. Relative intensity
Pascal’s triangle
not but
not but
not but

5.0 4.0 3.0 2.0 1.0 0.0
5.0 4.0 3.0 2.0 1.0 0.0
5.0 4.0 3.0 2.0 1.0 0.0

NMR spectra of typical (a) primary, secondary, and tertiary alcohols run
in DMSO.
2-6 Hz 5-14 Hz
Cis 2-15 Hz
Trans 10-31 Hz Geminal 0-7 Hz Vinyllic 2-13 Hz

Geminal (10-18)
Vicinal
Geminal (1-4)
Cis (5-14)
Trans (11-19)
Vinyllic (4-10)
Allylic (0-2)
Diene (10-13)
ortho(7-10)
meta(2-3)
para(0-1)

• Variation of coupling constant with change in
dihedral angle – Karplus Curve

Coupling constants:
 Three type of coupling constants
(i) Vicinal coupling constant (3J)
(ii) Geminal coupling constant (2J)
(iii) Long range coupling constant (>3J)
• Vicinal coupling : Ha Hb
 Coupling is transmitted through three bonds hence symbol is 3J

 The magnitude of this coupling constant depends upon dihedral
angle.
 This coupling constant is having maximum value when dihedral
angle is 180° (J = 16Hz).
 When dihedral angle is 0°, the value of this coupling constant is
less than maximum (J = 10Hz).
 This coupling constant is minimum when dihedral angle is about
90°.
• Geminal coupling :
Ha
Hb
• It is coupling between protons on the same carbon.

Therefore these two protons must be non equivalent i.e.
Ha and Hb.
• Here also the value of coupling constant depends upon
H – C – H angle.
• The value becomes zero at around 125° angle and
becomes maximum at around 100° angle (J =35Hz).
• Normally the value ranges between 10 – 18 Hz.

• Long range coupling :
• It is a coupling beyond three bonds (>3J).
• Normally it is observed up to 4 – 5 bonds.
• In the case of poly alkynes this coupling can be observed
up to 9 bonds.
• Normally the value of this coupling constant varies
between 0 – 4 Hz.
• There are two type of such couplings.
(i) Allylic coupling
(ii) W coupling

i. Allylic coupling (4J)
Hc
Ha
Hb Ha
Ha
4
Jab = 3 Hz 4 Jac = 3.5 Hz
ii. W Coupling (4J)
Ha Ha
Hb
O
Hb
4 Jab (meta) = 1 – 3 Hz
4 Jab = 0 – 2 Hz
H Ha
Bicyclo[2.1.1] hexane Hb 4 Jab = 7 Hz

• Virtual coupling :
• A strong coupling between the CH2 protons in a
hydrocarbon chain is known as virtual coupling.
HO C C C C C CH3
H2 H2 H2 H2 H2

Relaxation Processes:
• Nucleus with excited spin state can loose its energy, and can come
to ground state. This energy loss and coming to the ground state
is called relaxation.
• The relaxation can take place by two ways.
(i) By transferring its energy to some electromagnetic vector
present in surrounding environment. e.g. a nearby solvent
molecule. This relaxation processes is called spin-lattice
relaxation.
(ii) By transferring its energy to neighboring nucleus. This
relaxation process is called spin-spin relaxation. In this case
one nucleus looses its energy and comes to a ground state while
other nucleus gains the energy and reaches to a excited state.
Thus there is no change in the net population of the two spin
state levels.
• The time for spin-lattice relaxation is designated as T1.
• The time for spin-spin relaxation is designated as T2.
• Higher the T1 and T2, sharper the bands in the NMR.
• Smaller the T1 and T2, broader the bands in the NMR.
• For non-viscous liquid T1 is large while for viscous liquid
T1 is small, hence in non-viscous liquid one can get sharp
signals in NMR while in viscous liquid the NMR signals
observed are broad.
• The 14N nucleus possesses an electric quadrupole moment
and therefore able to interact with high energy state proton
readily and therefore rapid the spin-spin relaxation process
and T2 becomes small. Therefore there is a broadening of
the NMR signal. Thus the proton attached to a nitrogen gives
a broad signal in NMR.

5.0
4.0
3.0
2.0
1.0

Pople Notations:
• The different sets of protons are given different notations.
These notations are called Pople notations.
• The Pople notation depends upon the ratio Δν/J.
• If the Δν/J is greater than 10 then the sets are weakly
coupled.
• The well separated sets are given letters of the alphabets AM or
AX.
• If the Δν/J is less than 10 the sets are strongly coupled and for
such sets the symbols AB or ABC are used.
• The number of protons in each set is represented by subscript
number.

AX, A2X, A3X, A6X, Systems. ( Such systems have one coupling constant)
Cl2CH-CH(OH)Cl  AX System
X A
( 1,2,2-trichloro ethanol)
Cl2CH-CH2Cl  A2X System

X A2
( 1,1,2-trichloro ethane)
Br2CH-CH3  A3X System

X A3
(1,1-dibromo ethane)
BrCH-(CH3)2  A6X System

X A6
(isopropyl bromide)
A3X2 System- Ethyl group of ethyl benzene

A6X System- Isopropyl group of cumene

AMX Systems:
1. Compounds having 3 sets of protons and each set is separated
from other set by Δν/J > 10, are designated as AMX system.
2. Among A, M and X sets, the symbols A and M is given to

those sets which are relatively close and the symbol X is given
to the set which is far away. In AMX system M is having in
between chemical shifts of set A and X.
3. In this system the signals are having more than one coupling
constants.
4. The AMX system with two coupling constants may have the
magnitude of both coupling constants almost same or with
large difference.
AMX system with two same coupling constants:

AMX systems with two different coupling constants:

Measurement of two coupling constants in AMX system:

AMX system with three different coupling constants:
JAM
JAM
A= 5.31 δ,
JMX JAX
M= 5.82 δ,
X= 6.80 δ
M A
JAX = 11Hz
X M A
HX HA
C C JAM = 1Hz
HM
JMX =18Hz

PMR spectrum of furfuraldehyde: AMX system with three
different coupling constants – Measurement.
X = 6.63 δ,
M = 7.28 δ,
A = 7.72 δ.

AA’XX’ system: PMR of p-chloro nitrobenzene

AA’BB’ system: PMR of o-dichlorobenzene

AA’BB’ system: PMR of 2-phenyl-1,3-dioxolane

AMX system having more than one coupling constants
A M X
JAX JMX JMX
JAM JAM JAM JAM JAX JAX
Final appearance of the spectrum
Coupling constants in an AMX system

e.g. Furan-2-aldehyde
Furan-2-aldehyde JAX
JAM JMX JMX
JAM JAX
x 2 expansion
A M X
NMR spectrum of furan-2-aldehyde(CDCl3).

2. Use of Shift reagents
R1
O
R1= R2= C(CH3)3= Eu(DPM)3
R1= C(CH3)3, R2= C3F7= Eu(FOD)3
Eu
O R1= R2= C2F5= Eu(FHD)3
R2
3
i) Europeum tris dipivaloylmethane [Eu(DPM)3]

ii) Europeum tris heptafluorodimethyloctane dione [Eu(FOD)3]
iii) Europeum tris decafluoroheptane dione [Eu(FHD)3]
• Above shift reagents must be soluble in common NMR solvents.

• They should make complex with the compound under study. Therefore
organic compounds having following functional groups can be studied using
shift reagents: amines, alcohols, ketones, aldehydes, ethers, esters, nitriles and
epoxides.

• The mechanism is, electron spin of paramagnetic Eu is partially
transferred to the protons of the organic substrate through the
intervening bonds.
• The spinning of paramagnetic Eu generates secondary magnetic

field around the protons.
• The secondary magnetic field generated here deshields the proton

and increases their δ value.
• The signals are pulled down in the down field region and are
separated nicely.
• In the case of other lanthanide complexes eg. Praseodymium

complexes, the effect is reversed ie. the signals are pulled away but
in lower δ value ie. in upfield region.
Use of shift reagent and study of NMR spectrum of 6-methyl Quinoline:
5 4 H-2 Ortho and meta coupled dd
H3C 6
3 H-3 Ortho coupled dd
H-4 Ortho and meta coupled dd
7 2 H-5 singlet
N
8 H-7 Ortho and meta coupled dd
1
H-8 Ortho coupled doublet

3. Double resonance (spin decoupling)
• By irradiating the proton with correct radio frequency such that this stimulates
rapid transitions between two spin states. Thus its lifetime in any one state is
too short to resolve the coupling with the neighbouring (adjacent) proton.
• This technique requires in addition to the basic NMR instrument a second
tunable radio- frequency source for irradiation.
• Protons can be readily decoupled provided that they are apart from each other
at least by 100 Hz.
HA HX

4. Proton Exchange and D2O exchange
Spectrum of Ethanol.
Sample with acidic impurities
Pure sample

• The protons attached to hetero atoms are labile and can
be easily exchanged.
• Add drop of D2O to a compound containing –OH or
–NH2 group, then take the spectra.
• The –OH or –NH2 signal will disappear and its coupling
effect will also disappear.
• In the spectrum of ethanol, if NMR is taken after
addition of D2O the triplet for –OH will disappear and
the quartet – triplet pattern for CH3-CH2- will only be
observed.
• The similar effect is also observed if a drop of acid is
added in ethanol. Here the effect is due to proton
exchange.

Chemical shift equivalence :
• The chemical shift equivalence can be checked by
symmetry elements.
• The protons under study must be interchangeable by

any one of the following symmetry operations.
(i) Rotation along the symmetry axis (Cn)

(ii) Plane of symmetry (σ)
(iii) Centre of symmetry (i)
(iv) Alternative axis of symmetry (Sn)

• Axis of symmetry (Cn) :
O
H H
• When protons are interchangeable
H3C CH3 Cl Cl by axis of symmetry Cn then they
C2 C2
are called Homotopic Protons.
• The homotopic protons are chemi-

H
H2 cal shift equivalent in both achiral
H H
C .
and chiral environments
H2C CH2 H H
H
C3
C6

• Plane of symmetry (σ):
H H H H
H3C COOH F Cl
Propionic acid Chlorofluoromethane

• Plane of symmetry exists if one half of the molecule is
the mirror image of the other half.
• If the protons under study possess such mirror image
relationship, then they are called Enantiotopic Protons.
Thus enantiotopic protons are chemical shift equivalent
protons.
• Such type of protons are chemical shift equivalent only
in the achiral condition.

• Centre of symmetry (i) :
H F
H Cl Cl H
F H
Trans-1,3-dichoro-trans-2,4-difluoro cyclobutane
• A centre of symmetry exists if a line drawn from each
nucleus through the selected centre encounters the same
nucleus at the same distance on the other side of centre.
• If the protons under study are interchangeable by centre
of symmetry, then they are Enantiotopic Protons and
possess chemical shift equivalence.

• No interchangeability by symmetry operations :
H H
H3C
COOH
HO H
3-hydroxy butanoic acid

• The geminal protons on C2 carbon in the above
compound are not interchangeable by any symmetry
operations. Therefore these two protons are
Diastereotopic Protons and they are not chemical shift
equivalent protons.

•Chemical shift equivalence by rapid rotation :
Hb
Hb Ha
Ha
• Cyclohexane has six axial and six equatorial hydrogens. Thus two
sets of protons are there and two signals are expected.
• At room temperature, there is a rapid interconversion between
these protons due to the flipping of one chair into other.
• Due to rapid interconversion, NMR instrument sees them as
equivalent protons and gives one signal at room temperature.
This type of equivalence is called chemical shift equivalence by
rapid rotation.
• Methyl group protons are always chemical shift equivalent
because of rapid rotation.

• Rapid rotation in DMF :
O _
.. CH3 O CH3
N N
H CH3 H + CH3
• Dimethyl formamide (DMF) exists in two tautomeric forms shown

in the figure.
• Thus there is a partial double bond character between carbonyl
carbon and nitrogen atom.
• Due to partial double bond character, the rotation between
carbonyl carbon and nitrogen bond is hindered. Therefore at
room temperature the two methyl groups attached to nitrogen
become non-equivalent and NMR shows two separate signals for
two methyl groups.
• At around 123 °C, the rotation speed is rapid enough and the two
methyl groups become equivalent and NMR gives only one signal.
This is called chemical shift equivalence by rapid rotation.
Magnetic equivalence :
• To have the two sets of proton equivalent, they must
possess both chemical shift as well as magnetic
equivalence.
• The chemical shift equivalence is to be checked as shown
earlier.
• After checking chemical shift equivalence, the set of
protons must be checked for their magnetic equivalence.
• If the protons under study do not have chemical shift
equivalence, then they are different protons and there is
no need of checking their magnetic equivalence.
• To have a magnetic equivalence, protons under study
must have same coupling constant with any other proton
of second set.
Magnetic non equivalence in p-nitro chlorobenzene :
NO2
Ha and Ha′ – chemically equivalent,
Ha Ha'
but magnetically nonequivalent.
Hb Hb' Hb and Hb′ – chemically equivalent,

Cl but magnetically nonequivalent.
• Three isomers of difluoroethylene :
Fb Hb Fa Fb
Fa Ha Ha Hb
Fa Hb
Ha Fb
• In all the isomers Ha and Hb are chemically equivalent

but do not have magnetic equivalence and therefore Ha
and Hb are different protons.

• Axial and equitorial isomers of cyclohexanol :

• Study of conformations and stereochemistry by
NMR :

• Anomers of D-Glucose :

• Differentiation of Cis and trans isomers by NMR :
Ha Hb Ha COOH
Cl COOH Cl Hb
cis-3-chloro- trans-3-chloro-
propenoic acid propenoic acid
Jab = 9 Hz Jab = 14 Hz

• Progressive Distortion of the systems A2X2 →A2B2
→A4: PMR Spectrum of β-phenylethylacetate

• PMR spectrum of β-phenoxyethylchrloride :

• PMR spectrum of 2-chloroethanol :

• PMR spectrum of Diethyl succinate:

• Chemical Shifts and Multiplicities of Residual
Protons and Commercial Deuterated Solvents:
No. Solvent δ (multiplicity)

1. Acetone-d6 2.04(5)
2. Benzene-d6 7.15(br)
3. Chloroform-d 7.26(1)
4. Deuterium oxide 4.63(ref.DSS)
5. DMSO-d6 2.49(5)
6. Methanol-d4 4.78(-OH, 1)
3.30(-CHD2, 5)
7. THF-d8 3.58(br)
1.73(br)
8. CF3COOH-d 11.50(1)
• Chemical Shift of Dissolved water in Deuterated
Solvents:
No. Solvent δ
1. Acetone-d6 2.75
2. Benzene-d6 0.4
3. Chloroform-d 1.5
4. Deuterium oxide 4.75
5. DMSO-d6 3.35
6. Methanol-d4 4.9

• Nuclear Overhauser Effect (NOE):
HA HX
HA HX
The integration of the signal

increases and corresponds to
more than one proton.
• Whenever two protons are close to each other (the
distance must be less than 3.5A˚), the irradiation of any
one proton increases the intensity of the signal of the
other proton. This increase is 1-50%. This increase in
the intensity of the signal is called Nuclear Overhauser
Effect.
• The nuclear overhauser effect is useful for
distinguishing structural and stereoisomers. Its also
useful in distinguishing exo and endo products in
bicyclic compounds.
• Using NOE one can distinguish following two isomers.
NOE interactions
OMe OH
HO H(a) MeO H(a)
(c)H H(b) (c)H H(b)

CHO CHO
Isovanillin Vanillin
• The normal PMR spectra will not differentiate above

two isomers. Therefore the irradiation of –OCH3 group
is carried out and the NOE is studied.
• In case of Isovanillin the NOE is observed on H(a)
proton and its height is increased, while in case of
Vanillin the NOE will be observed on proton H(c) and
accordingly there will be increase in its signal intensity.
• Thus the NOE in two isomers are observed on two

different protons and isomers can be distinguished.
• There is no restrictions of no of bonds between two

protons which may undergo NOE interactions but the
necessary requirement is they must be in a close
proximity.

• PMR Spectra of Ethyl benzene at 60 MHz and
300MHz:

• PMR Spectra of Anisole at 60 MHz and 300MHz:

• PMR Spectra of Benzaldehyde at 60 MHz and
300MHz:

• PMR spectra for 4-(prop-1-en-1-yl)anisole
(Anethole), 4-allyloxyanisole and symmetrically o-
disubstituted benzene :

Anethole 4-allyloxy anisole

P-disubstituted benzene – Expected PMR

• PMR spectrum 2,4-dinitroanisole at 60MHz:

• Analysis of PMR spectrum of 2,4-dinitroanisole :
OMe
HB NO2
JBC
HC HD JCD
NO2 JCD
3J ~ 8Hz ortho
BC
4J ~ 2Hz meta
CD
5J ~ 0 Hz para
BD

• PMR spectra of o-, m- and p-nitroanilines :

• Analysis of PMR spectrum of o-nitrophenol :
Jad=8.5
Jbc=8.5
Jad=8.5 Jbc=8.5 Jac=7.9 Jab=1.5
Jcd=1.5
Jcd=1.5 Jac=7.9
Jab=1.5

• Analysis of PMR spectrum of m-nitrobenzoic acid :
Jab=Jac=8.1
Jab=8.1
Jcd=1.1 J =1.8 Jbc=1.1
bd
Jac=8.1
Jbd=1.8
Jbc=1.1
Jcd=1.1

• Analysis of PMR spectrum of 2-hydroxymethyl
furan(Furfuryl alcohol) :
Jbc=1.85
Jab=3.2
Jac=0.86
Jab=3.2
Jbc=1.8
5 Jac=0.86

• Analysis of PMR spectrum of 2-methyl pyridine :
Jbc=7.7
Jbc=Jac=7.7
Jad=4.0
Jad=4.0
Jac=7.7
Jcd=1.8

Thank You

1H - NMR Spectros

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“1H – NMR Spectroscopy”

Theory & Applications in structure assignment to

1. Proton (1H) nuclear magnetic resonance (PMR or

2. Carbon (13 C) nuclear magnetic resonance (13C –

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Proton precessing in magnetic field B0

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Low field High field

Principally all the protons in organic compounds will give

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

H3C CH CH3 H3C CH2 CH2 Cl H3C H

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Hence most shielded protons.

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

• Chemical shifts are expressed in δ ppm ( ppm = parts per million)

δ is independent of operating frequency

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Splitting = n + 1 , where , n = nearby (adjacent) protons

Spin-spin coupling, Coupling with two protons give a 1 : 2 : 1

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

5.0 4.0 3.0 2.0 1.0 0.0

5.0 4.0 3.0 2.0 1.0 0.0

Trans 10-31 Hz Geminal 0-7 Hz Vinyllic 2-13 Hz

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

 Coupling is transmitted through three bonds hence symbol is 3J

• It is coupling between protons on the same carbon.

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Bicyclo[2.1.1] hexane Hb 4 Jab = 7 Hz

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Cl2CH-CH2Cl  A2X System

Br2CH-CH3  A3X System

BrCH-(CH3)2  A6X System

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

2. Among A, M and X sets, the symbols A and M is given to

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

JAX JMX JMX

JAM JAM JAM JAM JAX JAX

Final appearance of the spectrum

Coupling constants in an AMX system

NMR spectrum of furan-2-aldehyde(CDCl3).

i) Europeum tris dipivaloylmethane [Eu(DPM)3]

• Above shift reagents must be soluble in common NMR solvents.

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt

• The spinning of paramagnetic Eu generates secondary magnetic

• The secondary magnetic field generated here deshields the proton

• In the case of other lanthanide complexes eg. Praseodymium

Department of Chemistry, SPU, VVN Dr D I Brahmbhatt