|Title||Theoretical study of linear and nonlinear absorption in platinum-organic compounds|
|Authors||P. Norman, P. Cronstrand and J. Ericsson|
|Citation||Chemical Physics, 285 (2002) 207-220|
|Field||Molecular electronics and photonics|
|Section||NLO in molecules|
|Sub-section||general NLO in molecules|
|Keywords||platinum-ethynyl two photon absorption response|
|Abstract||First principle quantum chemical methods have been employed in the
calculations of the linear and nonlinear ground state absorption in
platinum-ethynyl compounds, some of which include charge-transfer
groups. The theoretical results shows ways to tailor the linear absorption
to a desired wave length region.
Spin-orbit induced transitions are discussed and characterized.
The nonlinear absorption cross sections are
strongly enhanced by the introduction of charge-transfer units,
whereas the linear oscillator strengths remain essentially unaffected|