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Chemistry
Posted 4 months ago

Demonstrates an exceptional level of knowledge and understanding of the material. Answers are complete, scientifically accurate and based upon accepted understanding.Briefly describe what is the relevance of each of the following with respect to NMR spectroscopy, including a sketch to illustrate each answer. (i) A HMQC spectrum (ii) Karplus rule for three-bond couplings between hydrogen atoms.
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Answer from Sia
Posted 4 months ago
Solution
1
HMQC Spectrum Relevance: HMQC (Heteronuclear Multiple Quantum Coherence) spectroscopy is a two-dimensional NMR technique that is used to correlate protons with directly bonded carbon-13 or other heteronuclei
2
HMQC Spectrum Sketch: A typical HMQC spectrum consists of a grid with peaks that show correlations between the hydrogen and carbon atoms. The x-axis represents the ^1H NMR chemical shifts, and the y-axis represents the ^13C NMR chemical shifts. Peaks appear at coordinates that correspond to the chemical shifts of the directly bonded H-C pairs
3
Karplus Rule Relevance: The Karplus rule is an empirical relationship that describes the correlation between dihedral angles and the magnitude of ^3J_HH coupling constants in NMR spectroscopy. It is particularly useful for determining the conformation of molecules
4
Karplus Rule Sketch: The Karplus curve is typically plotted with the dihedral angle (φ) on the x-axis and the ^3J_HH coupling constant on the y-axis. The curve shows a sinusoidal relationship, with maxima and minima indicating the preferred dihedral angles for certain coupling constants
1 Answer
(i) HMQC spectrum is relevant for identifying direct H-C connections in molecules. (ii) Karplus rule is relevant for determining the dihedral angles between hydrogen atoms three bonds apart.
Key Concept
HMQC and Karplus rule are tools in NMR spectroscopy for structural determination.
Explanation
HMQC provides direct correlations between protons and their bonded carbons, while the Karplus rule helps in understanding the spatial arrangement of hydrogen atoms in a molecule.

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