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

BMC Chemistry

Table 1 Estimates of \({\varvec{K}}\) (\({\text{M}}^{ - 1}\)) and \({{\varvec{\Delta}}}_{{\varvec{C}}}\) (ppm) and their standard errors (SE) for all protons of acceptors

Acceptors	Protons	\(K\)	SE	\({\Delta }_{C}\)	SE
1,3-DNB	H₂	0.769	0.024	0.843	0.019
	H₄	0.707	0.017	0.928	0.017
	H₅	0.760	0.021	1.05	0.022
NB	H₂	0.293	0.019	0.595	0.034
	H₃	0.277	0.019	0.774	0.045
	H₄	0.259	0.020	0.757	0.052
1,2,4-TCB	H₃	0.175	0.011	0.808	0.047
	H₅	0.204	0.018	0.969	0.077
	H₆	0.221	0.012	0.939	0.045
1,2-DCB	H₃	0.186	0.023	0.634	0.067
1,2-DCB	H₄	0.179	0.017	0.756	0.069
1,3-BTFMB	H₂	0.283	0.045	0.233	0.032
	H₄	0.320	0.013	0.671	0.023
	H₅	0.324	0.012	0.892	0.027
TA	H_Rign	0.390	0.019	0.786	0.034
TA	H_Ald	0.379	0.020	0.843	0.038
Py	H₂	0.070	0.023	0.732	0.227
	H₃	0.063	0.005	1.384	0.107
	H₄	0.082	0.009	1.191	0.127

ISSN: 2661-801X