Effect Of Substituents On UV-Vis Spectra And RSA Properties Of Phthalocyanine Compounds

Abstract

The use of optically transparent materials to modulate or impede laser light in a real time setting is significant. This goal stimulates an interest in metalloporphyrins, phthalocyanines, naphthalocyanins and their derivatives. The most desired derivatives would be optically transparent, absorb laser light and also be soluble in water. Phthalocyanines (PC) with their stable, planar square structure and highly delocalized pi-electron system, are being used in numerous technological applications, such as pigments, in chemical sensors, and more recently as photosensitizers for photodynamic therapy. The nonlinear optical properties (NLO) of these compounds are of particular importance. Using quantum chemistry methods we study both visual and NLO properties of phthalocyanines complexes with Si as a central atom. The effect of hydrophilic axial substituents of the material on their optical properties is examined. We are mainly interested in the PEG poly(ethylene oxide) as an axial substituent because it is used in our laboratory to synthesize soluble PC complexes.

Open PDF

Document Details

Document Type
Technical Report
Publication Date
Nov 01, 2006
Accession Number
ADA482198

Entities

People

  • Adam Rawlett
  • James Snyder
  • Jan Andzelm
  • Joshua A. Orlicki
  • Kim Baldridge

Organizations

  • United States Army Research Laboratory

Tags

Communities of Interest

  • Advanced Electronics
  • C4I
  • Energy and Power Technologies
  • Sensors

DTIC Thesaurus Topics

  • Absorption
  • Alkenes
  • B Band
  • Chemical Compounds
  • Chemical Synthesis
  • Chemistry
  • Computational Science
  • Density Functional Theory
  • Electrons
  • Ethylene Oxide
  • Ethylenes
  • Lasers
  • Materials
  • Molecular Dynamics
  • Optical Properties
  • Organic Chemistry
  • Quantum Chemistry

Fields of Study

  • Chemistry

Readers

  • Chemistry (specifically Chemical Fluorescence)
  • Optical Physics and Photonics.
  • Organic Chemistry

Technology Areas

  • Directed Energy
  • Directed Energy - Lasers
  • Microelectronics
  • Quantum Computing