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Coupling constants  1 J( 17 O, 11 B) of borates, borane adducts and boranes with boron-oxygen bonds have been calculated on the basis of optimised molecular structures using the B3LYP/6-311+G(d,p) level of theory. This indicates that such coupling constants can be of either sign and that their magnitudes can be rather small. Since both  11 B and  17 O are quadrupole nuclei, it is therefore difficult to measure representative data. In the cases of trimethoxyborane and tetraethyldiboroxanes, it proved possible to obtain experimental data  1 J( 17 O, 11 B) (22 and 18 Hz) by measurement of  17 O NMR spectra at high temperature (120 °C and 160 °C) respectively. The magnitude of these coupling constants is in reasonable agreement with calculated data. In the case of the diboroxane, this points towards a bond angle B-O-B more close to 180◦ than to 140°

Indirect Nuclear Spin-Spin Coupling Constants 1 J( 17 O, 11 B). First Observation And Calculation Using Density Functional Theory (Dft)