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Upstream product

• 66-71-7 1,10-Phenanthroline 
• 7646-85-7 zinc(II) chloride 

Relevant academic research and scientific papers

The association of optically active ions. 2. The Pfeiffer-active system tris(1,10-phenanthroline)zinc(II) with adenosine 5′-monophosphate and related compounds

The system tris(1,10 phenanthroline)zinc(II) with adenosine 5′-monophosphate shows remarkable Pfeiffer activity. Noteworthy is the fact that the related compounds adenosine and α-ribose phosphate show little or no Pfeiffer activity in the pH range studied. The pH dependence indicates that a number of processes occur. At low pH the effect is most pronounced. It is concluded that short-range interaction between the purine base and the ligand rings is intimately involved in the ionic association process. The enhancement of the Pfeiffer effect in the protonated species may be due to a charge-transfer interaction from the ligands to the environmental compound. Protonation of the purine base would therefore make it a better electron acceptor. All Pfeiffer-active systems are shown by Job's method to involve 2 mol of environmental compound/mol of zinc complex.

Improved Infrared Spectra Prediction by DFT from a New Experimental Database

This work aims to improve the computation of infrared spectra of gas-phase cations using DFT methods. Experimental infrared multiple photon dissociation (IRMPD) spectra for ten Zn and Ru organometallic complexes have been used to provide reference data for 64 vibrational modes in the 900–2000 cm?1 range. The accuracy of the IR vibrational frequencies predicted for these bands has been assessed over five DFT functionals and three basis sets. The functionals include the popular B3LYP and M06-2X hybrids and the range-separated hybrids (RSH) CAM-B3LYP, LC-BLYP, and ωB97X-D. B3LYP gives the best mean absolute error (MAE) and root-mean-square error (RMSE) values of 7.1 and 9.6 cm?1, whilst the best RSH functional, ωB97X-D, gives 12.8 and 16.6 cm?1, respectively. Using linear correlations instead of scaling factors improves the prediction accuracy significantly for all functionals. Experimental and computed spectra for a single complex can show significant differences even when the molecular structure is calculated correctly, and a means of defining confidence limits for any given computed structure is also provided.

Spectral Differences between Enantiomeric and Racemic Ru(bpy)3(2+) on Layered Clays: Probable Causes

The preferential self-annihilation (static and dynamic) of Δ,Λ-Ru(bpy)3(2+)* over Δ- or Λ-Ru(bpy)3(2+)* is reported for aqueous dispersions of sodium hectorite lightly loaded with the Ru(II) chelate and subjected to pulsed laser excitation.By varying the loading level over a factor of ca. 60, it is also shown that racemate emission falls off sharply with increased loading whereas emission from the enantiomeric adsorbate remains more nearly constant.The decrease in luminescence yield of racemate with increased loading is mainly associated with an attenuation in the peak emission intensity, I(0), as found from time-resolved measurements.It is proposed, based on these studies, that clays offer both quenching and nonquenching sites for sorption and that Δ,Λ-Ru(bpy)3(2+) prefers the latter at low loadings, the ions being clustered within such regions.Enantiomeric Ru(bpy)3(2+), on the other hand, is more randomly distributed over the sites.The above model also permits rationalization of (i) observed changes in emission intensity with time, (ii) anomalies in the relative emission yields of Ru(bpy)3(2+)* and Ru(phen)3(2+)*, and (iii) the effect of Zn(phen)3(2+) on emission.Finally, differences in binding modes of enantiomeric and racemic chelate forms also induce differences in the flocculation trends of dispersed clays, the effects being most prominent for freshly prepared ruthenium(II) montmorillonite.