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- W2033420960 abstract "Measured molecular dipole moments and theoretical percentages of mesomeric zwitterionic forms were used to calculate the attractive electrostatic potentials at short, V(s), medium, V(m), and long, V(I), distances. Values of an attraction power function Φ (H) = A + BV (s) V(m) V(I) was then deduced for 18 nitriles and cyanamide vinylogues or iminologues along the C≡N direction. The satisfactory agreement observed between Φ (H) and the hydrogen bond basicity scale pKHB indicates that the method can be a useful tool for the prediction of hydrogen bonding, needing only simple calculations and allowing easy interpretation." @default.
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- W2033420960 date "1995-06-01" @default.
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- W2033420960 title "Prediction of hydrogen bond basicity in nitriles from dipole moments, mesomeric effects and electrostatic potentials" @default.
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