Table 5. NLO Properties of (3)a.
dipole moment μ (Debye) | polarizability (α) a.u. | hyperpolarizability (β) a.u. | |||
---|---|---|---|---|---|
μx | –4.3218 | αxx | 134.926 | βxxx | –153.69 |
μy | –3.0768 | αxy | 8.8495 | βxxy | –77.22 |
μz | 0.0953 | αyy | 113.56 | βxyy | 20.9204 |
μ0 | 5.306 | αxz | 2.3696 | βyyy | –23.663 |
αyz | 3.6526 | βxxz | –2.5495 | ||
αzz | 136.389 | βxyz | –4.3247 | ||
α0 | 128.291 | βyyz | 1.3138 | ||
190 127 × 10–24 esu | βxzz | 1.5831 | |||
βyzz | 3.9899 | ||||
βzzz | –0.948 | ||||
β0 | 163.102 | ||||
140 909 × 10–32 esu |
Standard value for urea (μ = 1.3732 D, β0 = 0.3728 × 10–30 esu).