The average isotropic and anisotropic polarizabilities (×10−24 esu) along with their individual components for compounds 1, 2, 3 and p-NA at M06/6-311G* levels of theory.
α components | 1 | 2 | 3 |
---|---|---|---|
á xx | 32.20 | 18.37 | 49.70 |
á xy | 8.846 | 7.197 | 59.49 |
á yy | 22.05 | 38.62 | 95.57 |
á xz | −0.312 | −5.412 | −8.453 |
á yz | −0.154 | −4.959 | 23.82 |
á zz | 63.47 | 60.05 | 95.57 |
á iso | 39.24 | 39.01 | 68.25 |
á aniso | 40.41 | 40.25 | 60.58 |