Effects of Conjugation Length, Electron Donor and Acceptor Strengths on Two-Photon Absorption Cross Sections of Asymmetric Zinc-Porphyrin Derivatives

•  Exceptionally large two-photon absorption cross sections at the infrared region have been revealed by time-dependent density functional theory calculations for asymmetric charge-transfer conjugated zinc-porphyrin derivatives. The largest two-photon cross section is found to be more than one order of magnitude larger than for the conventional two-photon active organic molecules. The calculations show that the formation of strong charge-transfer states depends on the length of the conjugation bridge between the zinc-porphyrin core and the electron donor/acceptor. The two-photon absorption cross section can be greatly enhanced by increasing the strengths of the electron donor/acceptor.

Subject headings

NATURVETENSKAP  -- Kemi -- Teoretisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)

Keyword

MULTIPHOTON MICROSCOPY

CHROMOPHORES

MOLECULES

DESIGN

LASER

Theoretical chemistry

Teoretisk kemi

Publication and Content Type

ref (subject category)

art (subject category)