Title of article :
Theoretical studies on nonlinear optical properties of organometallic conjugated systems III: second hyperpolarizabilities of Mn(I)-carbene systems
Author/Authors :
Shigemoto، نويسنده , , I. and Nakano، نويسنده , , M. and Yamada، نويسنده , , S. and Kiribayashi، نويسنده , , S. and Yamanaka، نويسنده , , S. and Yamaguchi، نويسنده , , K.، نويسنده ,
Issue Information :
دوماهنامه با شماره پیاپی سال 1997
Abstract :
Various ab initio electron-correlation methods are applied to calculate second hyperpolarizabilities (γs) of MnCH+, MnCH2+ and MnCH3+. These systems showed significant dependences on the electron correlations. MnCH3+, which have a single MnC bond, exhibited the larger γ than MnCH+ and MnCH2+, which have weak π bonds.
Keywords :
Ab initio quantum chemical methods and calculations , Transition metals , Hyperpolarizabilities
Journal title :
Synthetic Metals
Journal title :
Synthetic Metals
