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青州's Question
Chemistry
Posted 10 months ago

Determine the point group for EACH of the possible structural arrangements of (a) AsF 2Cl32 \mathrm{Cl} 3, and (b) AsF3Cl2\mathrm{AsF} 3 \mathrm{Cl} 2.

Assuming a static structure, indicate the number and relative intensities of the signals that you would expect to see in the 19F NMR spectrum of each molecule. Hint: draw their VSEPR structures could be helpful.
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Answer from Sia
Posted 10 months ago
Solution
1
Determine the point group for AsF$_2$Cl$_3$: To determine the point group, we must first predict the molecular geometry using VSEPR theory. AsF2_2Cl3_3 has five regions of electron density around the central As atom (two F atoms, three Cl atoms), which suggests a trigonal bipyramidal geometry. However, the actual geometry will depend on the arrangement of the F and Cl atoms
2
Possible structures for AsF$_2$Cl$_3$: There are two possible structures for AsF2_2Cl3_3: one with both F atoms in axial positions and another with one F atom in an axial position and the other in an equatorial position. The point group for the first structure is C2vC_{2v} (due to the presence of a C2 axis and two vertical mirror planes), and for the second structure, it is CsC_s (due to the presence of a single mirror plane)
3
Determine the point group for AsF$_3$Cl$_2$: AsF3_3Cl2_2 also has five regions of electron density, suggesting a trigonal bipyramidal geometry. The possible structures are with three F atoms in equatorial positions and two Cl atoms in axial positions, which gives a point group of D3hD_{3h} due to the presence of a C3 axis, horizontal mirror plane, and two C2 axes perpendicular to the C3 axis
4
19F NMR spectrum for AsF$_2$Cl$_3$: For the C2vC_{2v} structure, we would expect two signals of equal intensity due to the two equivalent F atoms. For the CsC_s structure, we would expect two signals of different intensities due to the non-equivalent F atoms
5
19F NMR spectrum for AsF$_3$Cl$_2$: For the D3hD_{3h} structure, we would expect one signal since all three F atoms are equivalent
1 Answer
AsF2_2Cl3_3: Point group C2vC_{2v} or CsC_s, 19F NMR with two signals (equal or different intensities). AsF3_3Cl2_2: Point group D3hD_{3h}, 19F NMR with one signal.
Key Concept
Point groups and 19F NMR spectra are determined by the symmetry and equivalence of fluorine atoms in a molecule.
Explanation
The point group is determined by the molecular geometry and symmetry elements present, while the 19F NMR spectrum depends on the equivalence or non-equivalence of the fluorine environments.

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