Jana, Atanu ; De, Arijit Kumar ; Nag, Amit ; Goswami, Debabrata ; Bharadwaj, Parimal K. (2008) Diaza-18-crown-6 based chromophores for modulation of two-photon absorption cross-section by metal ions Journal of Organometallic Chemistry, 693 (7). pp. 1186-1194. ISSN 0022-328X
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Official URL: http://linkinghub.elsevier.com/retrieve/pii/S00223...
Related URL: http://dx.doi.org/10.1016/j.jorganchem.2008.01.019
Abstract
Two chromophores with diaza-18-crown-6 as receptor have been synthesized in high yields. The electronic structure, one-photon absorption (OPA) spectra, and two-photon absorption (TPA) properties have been studied in detail. When no metal ion is added as input, both show negligible TPA cross-section (σ2). However, in the presence of Zn(II)/Cd(II)/Mg(II)/Ca(II) ion, each exhibits large TPA cross-section value. Binding of metal ion in the receptor increases the symmetric charge transfer leading to large σ2 values. Theoretical calculations at the B3LYP functional with 6-31G∗ and LanL2DZ mixed basis set under DFT formalism support experimental results.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | Aza-crown Ether Receptor; Charge Transfer; DFT; OPA; TPA |
| ID Code: | 4953 |
| Deposited On: | 18 Oct 2010 06:10 |
| Last Modified: | 18 May 2011 07:54 |
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