A supramolecular system for quantifying aromatic stacking interactions was written by Adams, Harry;Hunter, Christopher A.;Lawson, Kevin R.;Perkins, Julie;Spey, Sharon E.;Urch, Christopher J.;Sanderson, John M.. And the article was included in Chemistry – A European Journal in 2001.Computed Properties of C7H8N2O4 This article mentions the following:
A supramol. complex for investigating the thermodn. properties of intermol. aromatic stacking interactions has been developed. The conformation of the complex is locked in a single well-defined conformation by an array of H-bonding interactions that force two aromatic rings on one end of the complex into a stacked geometry. Chem. double-mutant cycles have been used to measure an anthracene-aniline interaction (+0.6±0.8 kJmol-1) and a pentafluorophenyl-aniline interaction (-0.4±0.9 kJmol-1) in this system. Although the interactions are very weak, the pentafluorophenyl interaction is attractive, whereas the anthracene interaction is repulsive: this is consistent with the dominance of π-electron electrostatic interactions. The nitropyrrole subunits used to control the conformation of these complexes lead to problems of aggregation and multiple conformational equilibrium The implications for the thermodn. anal. are examined in detail, and the double-mutant-cycle approach is found to be remarkably robust with respect to such effects, since systematic errors in individual experiments are removed in a pair-wise fashion when the cycle is constructed. In the experiment, the researchers used many compounds, for example, Ethyl 4-nitro-1H-pyrrole-2-carboxylate (cas: 5930-92-7Computed Properties of C7H8N2O4).
Ethyl 4-nitro-1H-pyrrole-2-carboxylate (cas: 5930-92-7) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Computed Properties of C7H8N2O4
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics