Give the structure that corresponds to the following molecular formula and 1H NMR spectrum: C4H10O2: δ 1.36 (3H, d, J = 5.5 Hz); δ 3.32 (6H, s); δ 4.63 (1H, q, J = 5.5 Hz) can you explain how to get the answer how do you use the shift, d, s, q to figure out the problem and the importance of J

Question

Kiera

Chemistry

4 June, 20:08

Give the structure that corresponds to the following molecular formula and 1H NMR spectrum: C4H10O2: δ 1.36 (3H, d, J = 5.5 Hz); δ 3.32 (6H, s); δ 4.63 (1H, q, J = 5.5 Hz) can you explain how to get the answer how do you use the shift, d, s, q to figure out the problem and the importance of J

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Giovanni Cortez · Answer 1

For the determination of a structure through its NMR it is necessary to know its molecular formula as well as the delta values, its coupling and the shift of each signal.

The separation produced is called coupling constant J and is measured in Hz. If the split is produced by two equal protons (equal J) a triple signal known as triplet is produced and if produced by three equal protons, the signal is quadruple and is known as quadruplet. The magnitude of the coupling is varied, depending on the relative disposition of the coupled protons (elevations that separate them, arrangement, spatial arrangement)

OH CH2 CH2 CH2 CH2 OH

(A) (B) (C)

1,4-butanediol

In the case of the molecule to study the signal at 1.36 shows a doublet, which corresponds to the hydrogen (C), is split in two for each different proton on the same carbon or on neighboring carbons.

At 3.32 ocurrs a singlet, wich belong to hidrogen (B). The last signal is a quintet, at 4.63 belonging to the hydrogen (C)

Explanation

Nuclear magnetic resonance NMR is a physical phenomenon based on the mechanical-quantum properties of atomic nuclei. NMR also refers to the family of scientific methods that explore this phenomenon to study molecules, macromolecules, as well as tissues and whole organisms.

NMR takes advantage of the fact that atomic nuclei resonate at a frequency directly proportional to the force of a magnetic field exerted, in accordance with the Larmor precession frequency equation, to subsequently disturb this alignment with the use of an alternating magnetic field, of orthogonal orientation.

The behavior of the nuclei in the magnetic field can be influenced in multiple ways, to give different types of information, but the basic information obtained is:

Frequency at which each particular nuclei comes out, displacement. Number of nucleis of each type, integral. Number and arrangement of nearby nuclei, multiplicity.