The electronic and non-linear optical properties of oxo-titanium phthalocyanines

✍ Scribed by FRYAD HENARI; ANDREW DAVEY; WERNER BLAU; P. HAISCH; M. HANACK

• Publisher: John Wiley and Sons
• Year: 1999
• Tongue: English
• Weight: 98 KB
• Volume: 03
• Category: Article
• ISSN: 1088-4246
• DOI: 10.1002/(sici)1099-1409(199906)3:5<331::aid-jpp138>3.0.co;2-x

✦ Synopsis

The valence electronic properties of some unsubstituted and peripherally substituted oxo-titanium phthalocyanines are reported. Semiempirical quantum chemical calculations show that the nature of peripheral substituents has a strong bearing on the valence electronic properties, including the state dipole moments and absorption wavelength. The non-linear optical response was measured around the the Q-band resonance. The effect of different substituents and substitution patterns on the non-linear behaviour of the samples was determined. The combined results suggest that tuning of electronic and optical properties is effectively achieved by functionalization of the edges of the conjugated ring.