Roy, J. ; Ghosh, Sanjib ; Bhattacharyya, S. P. (2001) Characterization of an unusual specific interaction between aromatic cyclic cis-vicinal triketones and cyclic saturated ethers Journal of Molecular Structure: Theochem, 535 (1-3). pp. 71-79. ISSN 0166-1280
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Official URL: http://linkinghub.elsevier.com/retrieve/pii/S01661...
Related URL: http://dx.doi.org/10.1016/S0166-1280(00)00572-8
Abstract
The nature of an unusual specific interaction between aromatic cyclic cis-vicinal triketone (I, II, III in Fig. 1) and cyclic saturated ethers (tetrahydrofuran and 2-methyl tetrahydrofuran) in the ground state has been explored using detailed AM1 calculation. The experimental values of δH for such interaction, determined by the temperature variations of the lowest 1(nπ∗) transition of the triketo compounds match well with the calculated values of ΔH. The solvent shift observed for 1(nπ∗) transition of I, II, III in cyclic saturated ethers compared with that in a non-interacting solvent like dichloromethane supports our theoretical prediction. The possibility of such specific interaction in the lowest 1(nπ∗) state of I, II and III has been discussed.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | Unusual Specific Interaction; Aromatic Cyclic Triketones; Cyclic Saturated Ethers |
| ID Code: | 3076 |
| Deposited On: | 09 Oct 2010 10:11 |
| Last Modified: | 20 May 2011 08:36 |
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