J-coupling

Correlating geminal $^2J_\text{Si–O–Si}$ couplings to structure in framework silicates

The dependence of a

$^{29}$ Si geminal J coupling across the inter-tetrahedral linkage on local structure was examined using first-principles DFT calculations. The two main influences on

$^2J_\mathrm{Si–O–Si}$ were found to be a primary dependence on …

Correlating geminal 2JSi–O–Si^2J_\text{Si–O–Si} couplings to structure in framework silicates

Correlating geminal $^2J_\text{Si–O–Si}$ couplings to structure in framework silicates