Investigation of the changes in hydrogen bonding accompanying the structural reorganization at 103 K in ammonium iodate

W. G. Marshall; R. H. Jones; K. S. Knight; C. R. Pulham; R. I. Smith

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Investigation of the changes in hydrogen bonding accompanying the structural reorganization at 103 K in ammonium iodate

机译：在碘酸铵103k中伴随结构重组的氢键变化的研究

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Neutron powder diffraction has been used to observe the changes in hydrogen bonding that occur as a function of temperature in ND_4IO_3 and, thus, determine the structural features that occur during the low-temperature (103 K) phase transition. It is shown that in the deuterated material the change is not a phase change per se but rather a structural reorganization in which the hydrogen bonding becomes firmly locked in at the phase transition temperature, and stays in this configuration upon further cooling to 4.2 K. In addition, both the differences and changes in the axial thermal expansion coefficients in the region 100-290 K can be explained by the changes involving both the hydrogen bonding and the secondary I···O halogen bonds.

机译：中子粉末衍射已经用于观察在ND_4OO_3中的温度的函数中发生的氢键的变化，从而确定在低温（103k）相转变期间发生的结构特征。结果表明，在氘代材料中，变化不是相变的本身，而是结构重组，其中氢键在相变温度下牢固地锁定，并在进一步冷却至4.2k时保持这种结构。此外，区域100-290k中的轴向热膨胀系数中的差异和变化都可以通过涉及氢键和仲氢键的变化来解释。

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《Acta Crystallographica, Section B. Structural science, crystal engineering and materials》 |2019年第2期|共8页
作者
W. G. Marshall; R. H. Jones; K. S. Knight; C. R. Pulham; R. I. Smith;
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作者单位

ISIS Facility STFC Rutherford Appleton Laboratory Harwell Campus Didcot OX11 0QX UK;

School of Chemical and Physical Sciences Keele University Keele ST5 5BG UK;

ISIS Facility STFC Rutherford Appleton Laboratory Harwell Campus Didcot OX11 0QX UK;

EaStCHEM School of Chemistry University of Edinburgh Joseph Black Building David Brewster Road Edinburgh EH9 3FJ UK;

ISIS Facility STFC Rutherford Appleton Laboratory Harwell Campus Didcot OX11 0QX UK;

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正文语种 eng
中图分类晶体学;
关键词
neutron diffraction; hydrogen bonding; phase transitions; variable temperature; ammonium ion;

机译：中子衍射;氢键;相转变;可变温度;铵离子;

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1. Investigation of the changes in hydrogen bonding accompanying the structural reorganization at 103 K in ammonium iodate [J] . W. G. Marshall, R. H. Jones, K. S. Knight, Acta Crystallographica, Section B. Structural science, crystal engineering and materials . 2019,第2期

机译：在碘酸铵103k中伴随结构重组的氢键变化的研究
2. Structural polarity induced by cooperative hydrogen bonding and lone-pair alignment in the molecular uranyl iodate Na-2[UO2(IO3)(4)(H2O)] [J] . Bray TH, Beitz JV, Bean AC, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2006,第20期

机译：由氢碘酸铀酸钠Na-2 [UO2（IO3）（4）（H2O）]中的氢键结合和孤对对准引起的结构极性
3. Investigation of nuclear quantum effect on the hydrogen bonds of ammonium dihydrogen phosphate using single-crystal neutron diffraction and theoretical modelling [J] . RAJUL RANJAN CHOUDHURY, R CHITRA Pramana . 2018,第4期

机译：单晶中子衍射和理论模型研究核量子效应对磷酸二氢铵氢键的影响
4. Hydrogen passivation effects on carbon dangling bond defects accompanying a nearby hydrogen atom in p-type CVD diamond [C] . N. Mizuochi, M. Ogura, J. Isoya, International Conference on Defects in Semiconductors . 2006

机译：对P型CVD金刚石附近氢原子的碳悬垂粘合缺陷的氢钝化效应
5. Investigation of Carbon-Hydrogen Bond Oxidation Reactions: I. Asymmetric Amination of Carbon-Hydrogen Bonds Using Ruthenium(II) Catalysts. II. Investigation of Structural Determinants of Monoamine Oxidase B [D] . Milczek, Erika M. 2010

机译：碳氢键氧化反应的研究：I.使用钌（II）催化剂不对称地胺化碳氢键。二。单胺氧化酶B结构决定因素的研究
6. Investigation and Characterization of Synthesis Conditions on Sucrose-ammonium Dihydrogen Phosphate (SADP) Adhesive: Bond Performance and Chemical Transformation [O] . Shijing Sun, Min Zhang, Kenji Umemura, 2019

机译：蔗糖-磷酸二氢铵（SADP）胶粘剂合成条件的研究与表征：键性能和化学转化
7. Structural Polarity Induced by Cooperative Hydrogen Bonding and Lone-Pair Alignment in the Molecular Uranyl Iodate Na2UO2(IO3)4(H2O) [O] . -1

机译：通过协同氢键合的结构极性和分子铀酰碘酸盐Na 2 UO 2（IO3）4（H2O）中的孤立对准诱导的结构极性。

Investigation of the changes in hydrogen bonding accompanying the structural reorganization at 103 K in ammonium iodate

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