当前位置: X-MOL 学术Acta Cryst. B › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
The hydrogen-bond network in sodium chloride tridecahydrate: analogy with ice VI
Acta Crystallographica Section B ( IF 2.684 ) Pub Date : 2023-09-13 , DOI: 10.1107/s2052520623007199
Keishiro Yamashita 1 , Kazuya Nakayama 1 , Kazuki Komatsu 1 , Takashi Ohhara 2 , Koji Munakata 3 , Takanori Hattori 2 , Asami Sano-Furukawa 2 , Hiroyuki Kagi 1
Affiliation  

The structure of a recently found hyperhydrated form of sodium chloride (NaCl·13H2O and NaCl·13D2O) has been determined by insitu single-crystal neutron diffraction at 1.7 GPa and 298 K. It has large hydrogen-bond networks and some water molecules have distorted bonding features such as bifurcated hydrogen bonds and five-coordinated water molecules. The hydrogen-bond network has similarities to ice VI in terms of network topology and disordered hydrogen bonds. Assuming the equivalence of network components connected by pseudo-symmetries, the overall network structure of this hydrate can be expressed by breaking it down into smaller structural units which correspond to the ice VI network structure. This hydrogen-bond network contains orientational disorder of water molecules in contrast to the known salt hydrates. An example is presented here for further insights into a hydrogen-bond network containing ionic species.

中文翻译:

十三水氯化钠中的氢键网络:与冰的类比 VI

最近发现的超水合氯化钠(NaCl·13H 2 O 和 NaCl·13D 2 O)的结构已通过1.7 GPa 和 298 K 下的原位单晶中子衍射确定。它具有大型氢键网络一些水分子具有扭曲的键合特征,例如分叉氢键和五配位水分子。氢键网络在网络拓扑和无序氢键方面与冰VI有相似之处。假设通过伪对称连接的网络组件等效,则该水合物的整体网络结构可以通过将其分解为与冰VI网络结构相对应的更小的结构单元来表达。与已知的盐水合物相比,这种氢键网络包含水分子的定向无序。这里提供一个示例,以进一步了解包含离子物质的氢键网络。
更新日期:2023-09-13
down
wechat
bug