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Powerpoint Templates Page 1 Electric dipole Transition moment.

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1 Powerpoint Templates Page 1 Electric dipole Transition moment

2 Powerpoint Templates Page 2

3 Powerpoint Templates Page 3 Gasv 1, cm -1 v 2, cm -1 v 3, cm -1 H 2 16 O3657.11594.73755.9 H 2 17 O3653.21591.33748.3 H 2 18 O3649.71588.33741.6 HD 16 O2723.71403.53707.5 D 2 16 O2671.71178.42787.7 HT 16 O2299.81332.53716.6 T 2 16 O2237.2995.42366.6

4 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-3G6-311++G(3d,3p)6-31+G(d) 159810.163111 37730.10310.1590.1100.0371-0.0506 38830.9040.6770.9450.6640.860-0.891

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6 Powerpoint Templates Page 6 Powerpoint Templates Elastic and Inelastic Scattering Raman

7 Powerpoint Templates Page 7 Rayleigh Scattering vs Raman Scattering

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10 Powerpoint Templates Page 10 10 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

11 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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13 Powerpoint Templates Page 13 Roto-Vibrational Raman ΔJ = 0 ± 2 Line Spacing 4B

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

16 Powerpoint Templates Page 16 Instrumentation

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19 Powerpoint Templates Page 19 Lasers Ar + ion 488.0 nm & 514.5 nm Kr + ion 530.9 nm & 647.1 nm He:Ne 632.8 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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22 Powerpoint Templates Page 22 Holographic notch filter

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