NMR Spectroscopy
NMR Project
Sample 35 and 40
Chemical Engineering
Chemical Analysis
Aim
The two samples are 35 and 40. Analytical techniques are vital in everyday science and so NMR procedure is an absolute essential to deduce compounds and chemical structures; this assignment requires the identification of two samples using an NMR software program.
Background
NMR spectroscopy is a well established method for structure determination of various organic molecules ranging from small molecules all the way up to large bio-molecules such as proteins, DNA and polysaccharides. The chemical environment surrounding each atom as well their proximity to other atoms in a molecule can be studied with various experiments, enabling high-resolution 3D-structure determinations as well as verification of the chemical structure. NMR spectroscopy is well suited for wood characterization, both in solution and in the solid-state.
Sample Number # 40
Sample 40 has been provided with sample information stating; an Infrared reading of 3350 / 1040 cm-1, a boiling point ranging between +107⁰C and +109⁰C,
Figure 1: Sample spectrum
Parameters:
Frequency = 100MHz Accumulation = 20
Because there is a need to report the location of an NMR signal/peak in a spectrum relative to a reference signal from a standard compound added to the sample, we use tetramethylsilane, (CH3)4Si, usually referred to as TMS. TMS is unreactive and easily removed from the sample after the measurement.
By zooming in on peak E, we see that this signal has a chemical shift at 0ppm; therefore this is just the TMS signal, which doesn’t need to be analysed.
Spectrum was not clear; in order to view the spectrum in more detail changed the parameters.
Figure 2: sample NMR spectrum at higher frequency
Parameters:
Frequency= 400MHz Accumulations = 80
From the information given about this sample, it has an i.r band at 3350 cm-1 and 1040cm-1. Comparing with literature value, i.r
Sample 35 and 40
Chemical Engineering
Chemical Analysis
Aim
The two samples are 35 and 40. Analytical techniques are vital in everyday science and so NMR procedure is an absolute essential to deduce compounds and chemical structures; this assignment requires the identification of two samples using an NMR software program.
Background
NMR spectroscopy is a well established method for structure determination of various organic molecules ranging from small molecules all the way up to large bio-molecules such as proteins, DNA and polysaccharides. The chemical environment surrounding each atom as well their proximity to other atoms in a molecule can be studied with various experiments, enabling high-resolution 3D-structure determinations as well as verification of the chemical structure. NMR spectroscopy is well suited for wood characterization, both in solution and in the solid-state.
Sample Number # 40
Sample 40 has been provided with sample information stating; an Infrared reading of 3350 / 1040 cm-1, a boiling point ranging between +107⁰C and +109⁰C,
Figure 1: Sample spectrum
Parameters:
Frequency = 100MHz Accumulation = 20
Because there is a need to report the location of an NMR signal/peak in a spectrum relative to a reference signal from a standard compound added to the sample, we use tetramethylsilane, (CH3)4Si, usually referred to as TMS. TMS is unreactive and easily removed from the sample after the measurement.
By zooming in on peak E, we see that this signal has a chemical shift at 0ppm; therefore this is just the TMS signal, which doesn’t need to be analysed.
Spectrum was not clear; in order to view the spectrum in more detail changed the parameters.
Figure 2: sample NMR spectrum at higher frequency
Parameters:
Frequency= 400MHz Accumulations = 80
From the information given about this sample, it has an i.r band at 3350 cm-1 and 1040cm-1. Comparing with literature value, i.r