15N-15N spin-spin coupling constants through intermolecular hydrogen bonds in the solid state.

Abstract

A 2hJNN intermolecular spin-spin coupling constant (SSCC) of 10.2±0.4 Hz has been measured for the powdered tetrachlorogallate salt of pyridinium solvated by pyridine (pyridine-H+⋯pyridine cation 3). Density Functional Theory (DFT) calculations at the B3LYP/6-311++G(d,p) level reproduced this value and two others reported in the literature for 2hJ intermolecular SSCCs, which were measured for complexes in solution.

DOI: 10.1016/j.jmr.2010.07.015

Cite this paper

@article{Claramunt201015N15NSC, title={15N-15N spin-spin coupling constants through intermolecular hydrogen bonds in the solid state.}, author={Rosa M. Claramunt and Marta P{\'e}rez-Torralba and Dolores Santa Mar{\'i}a and Dion{\'i}sia Sanz and B{\'e}n{\'e}dicte El{\'e}na and Ibon Alkorta and Jos{\'e} Elguero}, journal={Journal of magnetic resonance}, year={2010}, volume={206 2}, pages={274-9} }