Chemical Shift in Nuclear Magnetic Resonance Spectroscopy Calculator

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✖Resonance Frequency is the natural frequency where a medium vibrates at the highest amplitude.ⓘ Resonance Frequency [ν]			+10% -10%
✖Resonance Frequency of Standard Reference is the absolute resonance frequency of a standard reference compound where a medium vibrates at the highest amplitude.ⓘ Resonance Frequency of Standard Reference [ν^°]			+10% -10%

✖Chemical Shift is the resonant frequency of a nucleus relative to a standard in a magnetic field.ⓘ Chemical Shift in Nuclear Magnetic Resonance Spectroscopy [δ]

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Formula

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Chemical Shift in Nuclear Magnetic Resonance Spectroscopy

Formula

`"δ" = (("ν"-"ν"^{"°"})/"ν"^{"°"})*10^6`

Example

`"3E^8ppm"=(("13Hz"-"10Hz")/"10Hz")*10^6`

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Download Nuclear Magnetic Resonance Spectroscopy Formulas PDF

Chemical Shift in Nuclear Magnetic Resonance Spectroscopy Solution

STEP 0: Pre-Calculation Summary

Formula Used

Chemical Shift = ((Resonance Frequency-Resonance Frequency of Standard Reference)/Resonance Frequency of Standard Reference)*10^6
δ = ((ν-ν^°)/ν^°)*10^6
This formula uses 3 Variables

Variables Used

Chemical Shift - (Measured in Parts per Thousand) - Chemical Shift is the resonant frequency of a nucleus relative to a standard in a magnetic field.
Resonance Frequency - (Measured in Hertz) - Resonance Frequency is the natural frequency where a medium vibrates at the highest amplitude.
Resonance Frequency of Standard Reference - (Measured in Hertz) - Resonance Frequency of Standard Reference is the absolute resonance frequency of a standard reference compound where a medium vibrates at the highest amplitude.

STEP 1: Convert Input(s) to Base Unit

Resonance Frequency: 13 Hertz --> 13 Hertz No Conversion Required
Resonance Frequency of Standard Reference: 10 Hertz --> 10 Hertz No Conversion Required

STEP 2: Evaluate Formula

Substituting Input Values in Formula

δ = ((ν-ν^°)/ν^°)*10^6 --> ((13-10)/10)*10^6

Evaluating ... ...

δ = 300000

STEP 3: Convert Result to Output's Unit

300000 Parts per Thousand -->300000000 Parts per Million (Check conversion here)

FINAL ANSWER

300000000 ≈ 3E+8 Parts per Million <-- Chemical Shift

(Calculation completed in 00.004 seconds)

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Home » Chemistry » Analytical chemistry » Molecular Spectroscopy » Nuclear Magnetic Resonance Spectroscopy » Chemical Shift in Nuclear Magnetic Resonance Spectroscopy

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Amity Institute Of Applied Sciences (AIAS, Amity University), Noida, India

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National University of Judicial Science (NUJS), Kolkata

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< 13 Nuclear Magnetic Resonance Spectroscopy Calculators

Nuclear Larmor Frequency given Shielding Constant

Go Nuclear Larmor Frequency = (1-Shielding Constant in NMR)*((Gyromagnetic Ratio*Magnitude of Magnetic Field in Z-Direction)/(2*pi))

Gyromagnetic Ratio given Larmor Frequency

Go Gyromagnetic Ratio = (Nuclear Larmor Frequency*2*pi)/((1-Shielding Constant in NMR)*Magnitude of Magnetic Field in Z-Direction)

Chemical Shift in Nuclear Magnetic Resonance Spectroscopy

Go Chemical Shift = ((Resonance Frequency-Resonance Frequency of Standard Reference)/Resonance Frequency of Standard Reference)*10^6

Nuclear Larmor Frequency

Go Nuclear Larmor Frequency = (Gyromagnetic Ratio*Local Magnetic Field)/(2*pi)

Total Local Magnetic Field

Go Local Magnetic Field = (1-Shielding Constant in NMR)*Magnitude of Magnetic Field in Z-Direction

Rate of Exchange at Coalescence Temperature

Go Rate of Exchange = (pi*Peak Separation)/sqrt(2)

Effective Transverse Relaxation Time

Go Effective Transverse Relaxation Time = 1/(pi*Observed Width at Half-Height)

Local Distribution to Shielding Constant

Go Local Contribution = Diamagnetic Contribution+Paramagnetic Contribution

Hyperfine Splitting Constant

Go Hyperfine Splitting Constant = Empirical Constant in NMR*Spin Density

Observed Width at Half-Height of NMR Line

Go Observed Width at Half-Height = 1/(pi*Transverse Relaxation Time)

Shielding Constant given Effective Nuclear Charge

Go Shielding Constant in NMR = Atomic Number-Effective Nuclear Charge

Effective Nuclear Charge given Shielding Constant

Go Effective Nuclear Charge = Atomic Number-Shielding Constant in NMR

Magnetogyric Ratio of Electron

Go Magnetogyric Ratio = Charge of Electron/(2*[Mass-e])

Chemical Shift in Nuclear Magnetic Resonance Spectroscopy Formula

Chemical Shift = ((Resonance Frequency-Resonance Frequency of Standard Reference)/Resonance Frequency of Standard Reference)*10^6
δ = ((ν-ν^°)/ν^°)*10^6

What is Nuclear Magnetic Resonance?

Nuclear magnetic resonance is a physical phenomenon in which nuclei in a strong constant magnetic field are perturbed by a weak oscillating magnetic field and respond by producing an electromagnetic signal with a frequency characteristic of the magnetic field at the nucleus.
NMR results from specific magnetic properties of certain atomic nuclei. Nuclear magnetic resonance spectroscopy is widely used to determine the structure of organic molecules in solution and study molecular physics and crystals as well as non-crystalline materials. NMR is also routinely used in advanced medical imaging techniques, such as in magnetic resonance imaging (MRI).

How to Calculate Chemical Shift in Nuclear Magnetic Resonance Spectroscopy?

Chemical Shift in Nuclear Magnetic Resonance Spectroscopy calculator uses Chemical Shift = ((Resonance Frequency-Resonance Frequency of Standard Reference)/Resonance Frequency of Standard Reference)*10^6 to calculate the Chemical Shift, The Chemical Shift in Nuclear Magnetic Resonance Spectroscopy formula is defined as the resonant frequency of an atomic nucleus relative to a standard in a magnetic field. Often the position and number of chemical shifts are diagnostic of the structure of a molecule. Chemical Shift is denoted by δ symbol.

How to calculate Chemical Shift in Nuclear Magnetic Resonance Spectroscopy using this online calculator? To use this online calculator for Chemical Shift in Nuclear Magnetic Resonance Spectroscopy, enter Resonance Frequency (ν) & Resonance Frequency of Standard Reference (ν^°) and hit the calculate button. Here is how the Chemical Shift in Nuclear Magnetic Resonance Spectroscopy calculation can be explained with given input values -> 3E+11 = ((13-10)/10)*10^6.

FAQ

What is Chemical Shift in Nuclear Magnetic Resonance Spectroscopy?

The Chemical Shift in Nuclear Magnetic Resonance Spectroscopy formula is defined as the resonant frequency of an atomic nucleus relative to a standard in a magnetic field. Often the position and number of chemical shifts are diagnostic of the structure of a molecule and is represented as δ = ((ν-ν^°)/ν^°)*10^6 or Chemical Shift = ((Resonance Frequency-Resonance Frequency of Standard Reference)/Resonance Frequency of Standard Reference)*10^6. Resonance Frequency is the natural frequency where a medium vibrates at the highest amplitude & Resonance Frequency of Standard Reference is the absolute resonance frequency of a standard reference compound where a medium vibrates at the highest amplitude.

How to calculate Chemical Shift in Nuclear Magnetic Resonance Spectroscopy?

The Chemical Shift in Nuclear Magnetic Resonance Spectroscopy formula is defined as the resonant frequency of an atomic nucleus relative to a standard in a magnetic field. Often the position and number of chemical shifts are diagnostic of the structure of a molecule is calculated using Chemical Shift = ((Resonance Frequency-Resonance Frequency of Standard Reference)/Resonance Frequency of Standard Reference)*10^6. To calculate Chemical Shift in Nuclear Magnetic Resonance Spectroscopy, you need Resonance Frequency (ν) & Resonance Frequency of Standard Reference (ν^°). With our tool, you need to enter the respective value for Resonance Frequency & Resonance Frequency of Standard Reference and hit the calculate button. You can also select the units (if any) for Input(s) and the Output as well.

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