Crystallography Aided by Atomic Core-Level Binding Energies: Proton Transfer versus Hydrogen Bonding in Organic Crystal Structures
Crystallography Aided by Atomic Core-Level Binding Energies: Proton Transfer versus Hydrogen Bonding in Organic Crystal Structures
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DOI：
10.1002/anie.201103981
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发表时间：
2011-01-01
影响因子：
16.6
通讯作者：
Schroeder, Sven L. M.
中科院分区：
文献类型：
--
作者：
Stevens, Joanna S.;Byard, Stephen J.;Schroeder, Sven L. M.
离子键还是氢键？质子转移到有机晶体中的氮受体会引起N1s核能级结合能的强烈移动。对15个有机共晶和盐体系的研究表明，标准X射线光电子能谱（XPS）可作为X射线晶体学的补充方法，用于区分有机凝聚态中质子转移和氢键。
Ionic bond or hydrogen bridge? Brønsted proton transfer to nitrogen acceptors in organic crystals causes strong N1s core-level binding energy shifts. A study of 15 organic cocrystal and salt systems shows that standard X-ray photoelectron spectroscopy (XPS) can be used as a complementary method to X-ray crystallography for distinguishing proton transfer from H-bonding in organic condensed matter.