Powerpoint Templates Page 1 Electric dipole Transition moment.

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Presentation transcript:

Powerpoint Templates Page 1 Electric dipole Transition moment

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Powerpoint Templates Page 3 Gasv 1, cm -1 v 2, cm -1 v 3, cm -1 H 2 16 O H 2 17 O H 2 18 O HD 16 O D 2 16 O HT 16 O T 2 16 O

Powerpoint Templates Page 4 Table 4.11: IR intensities for water. The values given are relative intensities, with the most intense assigned the value `1'. Theoretical and experimental values are from Yamaguchi et al. [161]. Frequencies are as obtained in this work. ν Relative Intensities (cm)PresentHF MP2Expt. STO-3G G(3d,3p)6-31+G(d)

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Powerpoint Templates Page 6 Powerpoint Templates Elastic and Inelastic Scattering Raman

Powerpoint Templates Page 7 Rayleigh Scattering vs Raman Scattering

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Powerpoint Templates Page Classical Raman Physics Interaction between electric field of incident photon and molecule –Electric field oscillating with incident frequency v i : –Induces molecular electric dipole (p): Proportional to molecular polarizability,  –Polarization results in nuclear displacement

Powerpoint Templates Page 11 For small distortions, polarizability is linearly proportional to the displacement Resultant dipole: Rayleigh Scattering Anti-Stokes Raman Stokes Raman

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Powerpoint Templates Page 13 Roto-Vibrational Raman ΔJ = 0 ± 2 Line Spacing 4B

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Powerpoint Templates Page 15 Ressonance Raman Scattering effect enhanced by a factor 10 6

Powerpoint Templates Page 16 Instrumentation

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Powerpoint Templates Page 19 Lasers Ar + ion nm & nm Kr + ion nm & nm He:Ne nm Nd:YAG 1064 nm Diode 630 nm & 980 nm Resolution < 6 cm -1 → Laser Linewidth < 1 cm -1 Wavelength Stabilization is a must have (most common 785 nm NIR 300 mW

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Powerpoint Templates Page 22 Holographic notch filter

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