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Fig. 6 | BMC Chemistry

Fig. 6

From: New insights into prediction of weak π–π complex association through proton-nuclear magnetic resonance analysis

Fig. 6

The size orders of AUS \({{\varvec{\Delta}}}_{{\varvec{C}}}\) do not always match those of the set \({{\varvec{\Delta}}}_{{\varvec{C}}}\). Assume that an offset complex has three set \({{\varvec{\Delta}}}_{{\varvec{C}}}\) values. The larger set \({{\varvec{\Delta}}}_{{\varvec{C}}}\) values correspond to smaller \({\varvec{a}}_{2}\) due to less AUS effects. The resulting three AUS \({{\varvec{\Delta}}}_{{\varvec{C}}}\) values are connected with lines. a the data points in the dashed line: (\({\varvec{a}}_{2} = 0.03\), AUS \({{\varvec{\Delta}}}_{{\varvec{C}}} = 0.992\)), (\({\varvec{a}}_{2} = 0.05\), AUS \({{\varvec{\Delta}}}_{{\varvec{C}}} = 1.000\)) and (\({\varvec{a}}_{2} = 0.07\), AUS \({{\varvec{\Delta}}}_{{\varvec{C}}} = 1.014\)). The data points in the solid line are (\({\varvec{a}}_{2} = 0.03\), AUS \({{\varvec{\Delta}}}_{{\varvec{C}}} = 0.992\)), (\({\varvec{a}}_{2} = 0.04\)\(,\) AUS \({{\varvec{\Delta}}}_{{\varvec{C}}} = 0.970\)) and (\({\varvec{a}}_{2} = 0.05\), AUS \({{\varvec{\Delta}}}_{{\varvec{C}}} = 0.951\)); b the data points in the dashed line: (\({\varvec{a}}_{2} = 0.03\)\(,\) AUS \({{\varvec{\Delta}}}_{{\varvec{C}}} = 0.992\)), (\({\varvec{a}}_{2} = 0.05\), AUS \({{\varvec{\Delta}}}_{{\varvec{C}}} = 0.852\) ) and (\({\varvec{a}}_{2} = 0.07\), AUS \({{\varvec{\Delta}}}_{{\varvec{C}}} = 0.644\))

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