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Quantum Rotational Motion in Diatomic Molecules

The document discusses the rigid rotator model for understanding rotational motion in quantum systems, particularly for diatomic molecules. It explains the application of the Schrödinger equation, the quantization of rotational energy levels, and the role of spherical harmonics in describing wavefunctions. Additionally, it highlights the selection rules for microwave transitions and their implications for rotational spectra.

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Anjali Singh
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15 views3 pages

Quantum Rotational Motion in Diatomic Molecules

The document discusses the rigid rotator model for understanding rotational motion in quantum systems, particularly for diatomic molecules. It explains the application of the Schrödinger equation, the quantization of rotational energy levels, and the role of spherical harmonics in describing wavefunctions. Additionally, it highlights the selection rules for microwave transitions and their implications for rotational spectra.

Uploaded by

Anjali Singh
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd

ualitative Treatment of H and H-like Atoms & Schrödinger Equation for Many-Electron Atom

Slide 1: Introduction - Rotational Motion in Quantum Systems

Context:

- Common model: Rigid Rotator

- Two atoms bound at a fixed distance (e.g., diatomic molecules like HCl, CO).

- Masses rotate about the center of mass.

Assumptions:

- The bond length remains fixed (no vibration).

- System rotates freely in space.

Slide 2: Classical vs Quantum Picture

Classical Rotation:

- Kinetic energy: T = (1/2) I omega^2

Quantum Mechanics:

- Described by the Schrodinger equation in spherical coordinates (theta, phi).

- Only rotational degrees of freedom are considered (rigid bond).

Slide 3: Schrodinger Equation for Rigid Rotator

Hamiltonian:

H = L^2 / (2I)

Where:

- L^2: Angular momentum operator squared.

- I: Moment of inertia = mu * r^2

- mu: reduced mass = (m1 * m2) / (m1 + m2)

- r: bond length (fixed).


ualitative Treatment of H and H-like Atoms & Schrödinger Equation for Many-Electron Atom

Time-independent Schrodinger equation:

H Psi(theta, phi) = E Psi(theta, phi)

Slide 4: Angular Part - Spherical Harmonics

The wavefunctions are spherical harmonics:

Psi_lm(theta, phi) = Y_lm(theta, phi)

Eigenvalue of L^2:

L^2 Y_lm = hbar^2 * l(l + 1) * Y_lm

Quantum numbers:

- l = 0, 1, 2, ...

- m = -l, ..., +l

Slide 5: Quantization of Rotational Energy

Rotational energy levels:

E_l = (hbar^2 * l(l + 1)) / (2I)

- Discrete/quantized values.

- Depends only on l, not m.

- Each level l has (2l + 1)-fold degeneracy due to m.

Rotational constant B:

B = hbar^2 / (2I)

=> E_l = B * l(l + 1)

Slide 6: Spectroscopic Implications


ualitative Treatment of H and H-like Atoms & Schrödinger Equation for Many-Electron Atom

Selection rule for microwave transitions:

Delta l = ±1

Transition energies:

Delta E = E_(l+1) - E_l = 2B(l + 1)

- Energy difference increases linearly with l.

- Explains the evenly spaced lines observed in rotational spectra.

Slide 7: Summary

- Rigid rotator is a key model for rotational spectra of diatomic molecules.

- Energy levels are:

- Quantized

- Dependent on l, not m

- Spherical harmonics describe wavefunctions.

- Transition rules give rise to characteristic spectral patterns.

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