Paper Title:
Two Excited State Structures of Donor-Acceptor Substituted "Proton Sponge"
  Abstract

Photoexcitation of “proton sponge” 1,8-bis (dimethylamino) naphthalene (DMAN) leads to charge transfer (CT) emission. This work demonstrates that substitution of DMAN with a strong electron acceptor group (CN) results in CN-DMAN and leads to a stronger orbital decoupling between the Donor and Acceptor groups and to a more effective CT process (λF = 630 nm). The theoretical absorption spectrum calculated for CN-DMAN using the ZINDO method on its ground state ab initio [HF/6-31G(d)] optimized geometry reproduces a better experimental spectrum than that calculated using the RCIS method. It also shows that AM1 excited state (1La) optimization reveals two quasi-degenerated states with anti-quinoidal (A) and quinoidal (B) structures and the CT nature. Both structures may contribute more or less equally to the fluorescence of CN-DMAN in a solution.

  Info
Periodical
Key Engineering Materials (Volumes 277-279)
Edited by
Kwang Hwa Chung, Yong Hyeon Shin, Sue-Nie Park, Hyun Sook Cho, Soon-Ae Yoo, Byung Joo Min, Hyo-Suk Lim and Kyung Hwa Yoo
Pages
1060-0
DOI
10.4028/www.scientific.net/KEM.277-279.1060
Citation
A. Szemik Hojniak, I. Deperasińska, W.J. Buma, G. Balkowski, A.F. Pozharsky, N.V. Vistorobskii, "Two Excited State Structures of Donor-Acceptor Substituted "Proton Sponge"", Key Engineering Materials, Vols. 277-279, pp. 1060-0, 2005
Online since
January 2005
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$32.00
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