Optimum hybridization is nearly constant over the range of bond angles considered, thus suggesting the existence of "bent bonds" for all but the equilibrium bond angle, where bond and hybrid angles coincide.doi:10.1016/0009-2614(69)80080-1Martin Klessinger...
This bond angle is slightly less than the ideal tetrahedral angle of 109.5 degrees due to the presence of the lone pair on the oxygen atom, which creates additional repulsion. From a molecular geometry perspective, the hybridization of the central atom in H2O leads to a bent or V-shaped ...
3, which is almost the same as the average hydrogen-bond angle (178°) in ice Ih. These strong hydrogen bonds of the AADDi-type water molecule in the ice-like structure accounts for the relatively low O-H stretching frequency. In contrast, the average hydrogen bonds formed between the A...
Single crystal X-ray structure analysis of this phase indicate the ideal formula KNa3(UO2)2(Si4O10)2(H2O)4, although the compound shows some compositional variability. It is monoclinic, space group C2, Z=2,a=1.2782(1), b=1.3654(1),c=0.82677(8) nm, β=119.240(1)°. The structure ...
(111). The reactivity enhancement by exciting the stretching modes is consistent with the Polanyi's rules for a late-barrier reaction, and the enhancement due to the bending mode is evidenced by the fact that the H–O–H angle of the saddle point (119.21°) is larger than that in ...
2015-05-09上传 Cubane-like (COO)2(H2O)6 anion water clusters New building blocks of two trinodal supramolecular networks with mixed-connectivity 文档格式: .pdf 文档大小: 1.39M 文档页数: 6页 顶/踩数: 0/0 收藏人数: 0 评论次数: 0
The dependency on the atomic structure parameters of the H-bond angle and distance toward Fsurfsurf, as well as the direct coordination of O/F/Cl toward Y/Hosurfsurf are visualized in Figure 6. See Table S5 for a comparison of non-/weighted averages over each or all surfaces, as well...
Internal angles display the largest deviations from the ideal value of 90° at O7–Fe1–O8 = 87.46(7)°. All Fe–H2O bond distances are in good agreement with those observed in natural Fe phosphates [23,24]. Aluminum is characterized by a AlO3(OH)2(H2O) octahedral environment, with ...
Defernite, Ca6(CO3)1.58(Si2O7)0.21(OH)7[Cl0.50(OH)0.08(H2O)0.42], is a carbonate mineral [space group Pnam; at 100 K: a = 17.744(2), b = 22.601(4), c = 3.633(1) Å, Z = 4] with zeolitelike structural channels. The structural framework is formed by edge- and comer-sh...
Bond angles at manganese show significant distortion from ideal pentagonal bipyramidal arrangement. The interaxial angle of 02-Mn-03 is reduced from a theoretical value of 180° to 160.5(1)°. Three of five angles subtended at manganese by adjacent equatorial atoms are smaller than 72°, being ...