Table 2. Comparison of the water molecule and hydrogen bond geometry (, ) in Na2MoO42D2O and Na2WO42D2O with the protonated isotopologues as reported in the literature. Note the inclusion of the contact O5D51O3, which forms the longer ‘branch’ of Farrugia’s proposed bifurcated hydrogen bond.
| Na2MoO42D2O | Na2MoO42H2O | Na2WO42D2O | Na2WO42H2O | |
|---|---|---|---|---|
| This work | Capitelli et al. (2006 ▸) | This work | Farrugia (2007 ▸) | |
| O5D51 | 0.977(2) | 0.68(3) | 0.970(2) | 0.86(3) |
| O5D52 | 0.966(2) | 0.76(3) | 0.959(2) | 0.86(3) |
| D51O5D52 | 106.0(2) | 98(4) | 106.0(2) | 100(5) |
| D51O1(i) | 1.874(2) | 2.16(3) | 1.873(2) | 2.09(4) |
| O5D51O1(i) | 167.9(2) | 167(4) | 168.2(2) | 145(6) |
| D51O3(ii) | 2.70(6) | |||
| O5D51O3(ii) | 122(5) | |||
| D52O4(ii) | 1.846(3) | 2.07(3) | 1.863(2) | 1.98(3) |
| O5D52O4(ii) | 171.2(2) | 176(3) | 170.9(2) | 174(6) |
| O6D61 | 0.972(2) | 0.83(3) | 0.968(2) | 0.86(3) |
| O6D62 | 0.972(2) | 0.71(3) | 0.966(2) | 0.86(3) |
| D61O6D62 | 103.0(2) | 105(3) | 103.2(2) | 95(5) |
| D61O1 | 1.816(2) | 2.01(3) | 1.834(2) | 1.95(3) |
| O6D61O1 | 167.0(2) | 167(3) | 167.0(2) | 167(6) |
| D62O4(iii) | 1.868(4) | 2.08(3) | 1.876(2) | 2.02(4) |
| O6D62O4(iii) | 168.7(2) | 170(3) | 168.7(2) | 159(6) |
Symmetry codes: (i) 1x, 1y, 1z; (ii) 1x, 
+y, 
z; (iii) +x,
y, 1z.