Aman Bansal
Last Activity: 11 Years ago
Dear Anurag,
Molecular vibrational frequencies lie in the IR region of the electromagnetic spectrum and they can be measured using the IR technique. In IR, light having different frequencies is passed through a sample and the intensity of the transmitted light is measured at each frequency.When molecules absorb IR radiation, transitions occur from a ground vibrational state to an excited vibrational state. In order for a molecule to be IR active there must be a change in dipole moment as a result of the vibration that occurs when IR radiation is absorbed. Dipole moment in a heteronuclear diatomic molecule can be described as uneven distribution of electron density between the atoms. One atom is more electronegative than the other and has a net negative charge. Dipiole moment can be expressed mathematically as
The relationship between IR intensity and dipole moment is given as
relating this to intensity of the IR radiation, we have have the following equation below.
where is the dipole moment and Q is the vibrational coordinate. The transition moment integral for IR can also be written as
the transition moment integral gives information about the probability of a transition occuring. i and f represent are initial and final states. is the wave function. Relating this to IR intensity we have
where is the dipole moment and has the cartesian coordinates, ,, . In order for a transition to occur by dipole selection rules , at least one of the integrals must be non zero
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Aman Bansal
Askiitian Expert