experimental determination of structure Flashcards

1
Q

What is Elemental microanalysis used for

A

Elemental microanalysis is used to determine the masses of C, H, O, S and N in a sample of an organic compound in order to determine its empirical formula.

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2
Q

what can Elemental microanalysis can be determined from

A

Elemental microanalysis can be determined from:
 combustion product masses
 percentage product by mass

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3
Q

what does an empirical formula show

A

An empirical formula shows the simplest ratio of the elements in a molecule.

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4
Q

what can mass spectrometry can be used to determine

A

Mass spectrometry can be used to determine the accurate gram formula mass (GFM) and structural features of an organic compound

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5
Q

what can the mass-to-charge ratio of the parent ion can be used to determine

A

The mass-to-charge ratio of the parent ion can be used to determine the GFM of the molecular ion, and so a molecular formula can be
determined using the empirical formula.

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6
Q

how does mass spectrometry work

A

In mass spectrometry, a small sample of an organic compound is bombarded by high-energy electrons. This removes electrons from
the organic molecule generating positively charged molecular ions known as parent ions. These molecular ions then break into smaller
positively charged ion fragments. A mass spectrum is obtained showing a plot of the relative abundance of the ions detected against the mass-to-charge (m/z) ratio.

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7
Q

what can the fragmentation data can be interpreted to gain

A

The fragmentation data can be interpreted to gain structural information.

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8
Q

what is Infrared spectroscopy is used to identify

A

Infrared spectroscopy is used to identify certain functional groups in an organic compound.

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9
Q

When infrared radiation is absorbed by organic compounds what happens

A

When infrared radiation is absorbed by organic compounds, bonds
within the molecule vibrate (stretch and bend).

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10
Q

what do the wavelengths of
infrared radiation that are absorbed depend on

A

The wavelengths of
infrared radiation that are absorbed depend on the type of atoms that make up the bond and the strength of the bond.

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11
Q

In infrared spectroscopy, what is passed through a sample of the organic compound

A

In infrared spectroscopy, infrared radiation is passed through a sample of the organic compound and then into a detector that measures the intensity of the transmitted radiation at different wavelengths.

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12
Q

what is The absorbance of infrared radiation is measured in

A

The absorbance of infrared radiation is measured in
wavenumbers, the reciprocal of wavelength, in units of cm-1.

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13
Q

what can Proton nuclear magnetic resonance spectroscopy (proton NMR or 1 H NMR) give information about

A

Proton nuclear magnetic resonance spectroscopy (proton NMR or 1 H NMR) can give information about the different chemical environments of hydrogen atoms (protons or 1 H) in an organic molecule, and about how many hydrogen atoms there are in each of these environments

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14
Q

how do h nuclei behave

A

H nuclei behave like tiny magnets and in a strong magnetic field some align with the field (lower energy), whilst the rest align against it (higher energy).

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15
Q

what does absorption of radiation in the radio frequency region of the electromagnetic spectrum cause

A

Absorption of radiation in the radio frequency region of the electromagnetic spectrum causes the 1
H nuclei to ‘flip’ from
the lower to the higher energy alignment. As they fall back from the higher to the lower energy alignment the emitted radiation is detected and plotted on a spectrum.

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16
Q

In a 1 H NMR spectrum what is the chemical shift related to

A

In a 1 H NMR spectrum the chemical shift, δ , (peak position) is related to the environment of the 1 H atom and is measured in parts per million (ppm).

17
Q

h graph

A

The height of an integration curve is proportional to the number of 1 H atoms in that environment, and so a ratio of 1 H atoms in each environment can be determined.

18
Q

what is the standard reference substance used in 1 H NMR spectroscopy

A

The standard reference substance used in 1 H NMR spectroscopy is tetramethylsilane (TMS), which is assigned a chemical shift value equal to zero.

19
Q

how can H NMR spectra be obtained

A

H NMR spectra can be obtained using low-resolution or high-resolution NMR.

20
Q

what is the difference between high resolution and low resolution 1 h NMR

A

High-resolution 1 H NMR uses higher radio frequencies than those used in low-resolution 1 H NMR and provides more detailed spectra.

21
Q

Low- and high-resolution 1 H NMR spectra can be analysed, and low resolution 1 H NMR spectra can be …?

A

Low- and high-resolution 1 H NMR spectra can be analysed, and low resolution 1 H NMR spectra can be sketched for any given compound.