Advanced Chemical Physics

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Advanced Chemical Physics
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Advanced Physical Chemistry

• Spectroscopy
• Electronic spectroscopy (basics in quantum
  mechanics)
• Vibrational spectroscopy (IRRaman)
• Time resolved spectroscopy
• Surface spectroscopy
• Single molecule spectroscopy
• Photoelectrons spectroscopy
• Advanced Topics in Thermodynamics and Kinetics
• Liquid-solid interfaces (wetting, contact angle)
• Molecules at Interfaces (Langmuir films,
  self-assembled layers)
• Catalysis (Chemisorption, kinetics, mechanisms)
• Structure and dynamics in liquids
• Books 1. Modern Spectroscopy, J. M. Hollas,
  John WileySons
• 2. Molecular Vibrations, Wilson, Decious
  and Cross, Dover Publications Inc.
• 3. Physical Chemistry of Surfaces,
  A.W. Adamson and Cast, Wiley-
  Interscience Publication.
• 4. An Introduction to the Liquid
  State" by P.A. Egelstaff, Oxford
  University Press.

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Electronic Spectroscopy

• Quantum mechanics- Born-Oppenheimer
  approximation
• Molecular symmetry
• Electromagnetic radiation and its interaction
  with atoms and molecules
• Coupling of angular momenta
• Classification of electronic states and selection
  rules.
• Vibronic spectra, Franck-Condon principle and
  selection rules
• Non Born-Oppenheimer effects, radiationless
  transitions.

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Quantum mechanics- Born-Oppenheimer
approximation
In 1924 Louis de Broglie recognized the
similarity that exists between Fermats principle
of least time, which governed the propagation of
light, and Maupertuiss principle of least
action, which governed the propagation of
particles. He proposed that with any moving body
there is associated a wave and that the
momentum of the particle and the wavelength are
related by ph/?. It can be shown that as a
result of this relation one obtains also the
Heisenberg uncertainty principle ?p ? x
h. Hence in order that an electron will reside
in a radius around a nuclei a standing wave must
exist in which
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In quantum mechanics we deal with the solution of
the Schrödinger Equation, which is an equation
for the spatial and temporal behavior of the de
Broglie waves The Schrödinger Equation is
given by
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Molecular Symmetry
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Electromagnetic radiation and its interaction
with atoms and molecules
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n
En
E
Em
m
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Short Summary

• The dream of any quantum chemist is to present
  the hamiltonian in the form of
• Hh1h2 h3.
• When hi is hydrogen atom like hamiltonian.
• The solution is given than as
• EE1E2E3
• Alternatively one tries to write the hamiltonian
  as sum of hamiltonians with the terms that couple
  them as off-diagonal terms.

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Short Summary-continue

• The transition dipole moment

Because of symmetry considerations the
function in the integral must be symmetric. Since
the dipole moment is always anti-symmetric, in
order that a dipole transition will be allowed,
one of the wave functions must be symmetric and
the other anti-symmetric.
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Coupling of angular momenta
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Classification of electronic states and selection
rules.
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Selection rules
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