â vector and its â2L and â3L components calculated for [Ni-(L)(MePhCHNH2)] at various wavelengths. At 1.907 µm (top), â is directed mostly in the direction of â3L (main â component at low frequency). At 1.064 µm (bottom), â is directed mostly in the direction of â2L (main â component at high frequency), which leads to an â rotation of 45°
Synthesis, crystal structures, and nonlinear optical (nlo) properties of new schiff-base nickel(ll) complexes. toward a new type of molecular switch?
Figure 6
Another unexpected result arises from a careful examination of the ZINDO calculation. If â3L is dominant at lower laser frequency, then the calculation reveals that â2L becomes increasingly important as the frequency increases. Moreover, the angle between â2L and â3L is equal to 155° (instead of 180°). Consequently, the relative increase of â2L leads to a rotation of the overall hyperpolarization (â2L + â3L). This behavior is illustrated in Figure 6.
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