6. What is the chemical shift? (calculation-problem) ?

Chemical shift is related to effective magnetic field Heff which is the actual
magnetic field experienced by the protons during the recording of NMR spectrum. As
protons in an organic molecules are surrounded by different chemical environment,
the density (thickness) of the electronic cloud surrounding each proton is different,
due to the presence of “electron pulling” (-I) or “electron releasing” (+I) groups
nearby. The electron clouds are diamagnetic in nature and they always oppose (shield
‘σ’) the applied Magnetic field Ho
When an “electron pulling” (-I) group is nearby
a proton its electron cloud density/thickness decreases
(less shielding), so Heff is more, but when an “electron
releasing” (+I) group is nearby a proton, its electron
cloud density/thickness increases (less shielding), so
Heff is less.
Heff = Ho- σ;
The value of shielding factor σ is more, when a proton is surrounded by a
thick electron cloud due to +I effect, so Heff is less.
The value of shielding factor σ is less, when a proton is surrounded by a thin
electron cloud resulting in -I effect so Heff is more.
Thus due to the fact that protons in an organic compounds are surrounded by
electron cloud of different thickness and hence experience different effective
magnetic field Heff, when a magnetic field of Ho is applied during the recording of
NMR spectra. Different Heff leads to different energy level differences (ΔE) between
protons spinning with α spin and β spin and hence different proton absorb different
frequencies in the Rf region to go from α spin state and β spin state to record different
NMR signals. If the Rf frequency absorbed by the highly shielded TMS protons’
signal is taken as internal standard and comparing it with the high Rf frequencies
absorbed by other less shielded protons in an organic compound, gives the shift of the
signal form TMS signal and is called Chemical Shift (How much chemically those
protons are different from TMS) and is given by the formula
Chemical Shift

Where νo(H) is the absorption frequency of particular proton νo(TMS) the absorption
frequency of TMS. As we divide the frequency difference by Machine frequency, the
chemical shift in ppm is not machine dependant. Generally NMR spectrum plotted in
the format Intensity Vs Chemical shift (in PPM) or if needed Intensity Vs Chemical
 shift (in frequency). The general chemical shift scale and typical NMR spetrum is
given below:

(Red colour optional)

Problem:

1. Acetone has a peak at 440Hz at 2.2 ppm from TMS in a 200 MHz machine, at what frequency will
be its peak in a 400 MHz machine?

ppm is not machine dependant so

The signal will appear at 880 Hz