Calculations of circular intensity differences in electric-field-induced second harmonic generation

• Ab initio calculations of electric-field induced second-harmonic generation for chiral molecules are presented. The calculations employ cubic response theory and take into account electric-dipole, electric-quadrupole and magnetic-dipole interactions, which result in an intensity dependence on the helicity of the light. The circular intensity difference is calculated for the chiral molecules twisted ethylene, trans-1,2-dimethylcyclopropane and methyloxirane. The calculated circular intensity differences are small - being of the order of 10-4-10-3 - but such electric-field induced second harmonic generation intensity dependencies should be experimentally detectable.

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NATURVETENSKAP  -- Kemi -- Teoretisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)

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