Comments on excited state polarizabilities of molecules

✍ Scribed by Gene Barnett

• Publisher: John Wiley and Sons
• Year: 1977
• Tongue: English
• Weight: 188 KB
• Volume: 12
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/qua.560120216

✦ Synopsis

Abstract

A comparison of experimental and theoretical values for Δα = α~e~ ‐ α~g~, assuming no sigma‐electron contribution, shows a great distortion by π‐electron calculations. We analyze existing electrochromic data, using this assumption, and report Δα values of 44 Å^3^ for coronene and 43 Å^3^ for triphenylene. Some general properties of Δα are discussed in terms of potential energy curves which suggest interesting calculations to relate excited matrix elements with experimental measurements.