Infrared spectra of SF_6~-·(H2O)_n(n=1-3):Incipient reaction and delayed onset of water network formation

Holger Schneider; J.Mathias Weber

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Infrared spectra of SF_6~-·(H2O)_n(n=1-3):Incipient reaction and delayed onset of water network formation

机译：SF_6〜-·（H2O）_n（n = 1-3）的红外光谱：初反应和水网络形成的延迟发生

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We present data on the microsolvation of an extended charge distribution with SF_6~-as a model system.Infrared spectroscopy,aided by ab initio calculations,shows that the first two water molecules attach to the ion by a combination of single ionic H bonds,sharing one of the F atoms,and weak electrostatic interactions with other F atoms in the ion.No water-water bonds are formed at the dihydrate level,which is an unusual observation,given the strong propensity of water to form H-bonded networks.The onset of water networks occurs with the addition of the third water molecule.Moreover,the attachment of the first two water molecules considerably weakens the SF bond of the F atom involved in bonding to both ligands,indicating a possible mechanism for water-induced reactions.

机译：我们以SF_6〜-为模型系统，给出了扩展电荷分布的微溶剂化数据。通过从头算计算，红外光谱表明，前两个水分子通过单个离子H键的组合与离子结合，共享一个F原子，并且与离子中的其他F原子之间的静电相互作用弱。在二水合物水平上没有形成水-水键，这是一个不寻常的观察，因为水很容易形成H键网络。加入第三个水分子会导致水网络的发生。此外，前两个水分子的连接大大削弱了与两个配体键合的F原子的SF键，表明水诱导反应的可能机理。

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《The Journal of Chemical Physics》 |2007年第24期|共8页
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Holger Schneider; J.Mathias Weber;
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1. Infrared spectra of SF_6~-·(H2O)_n(n=1-3):Incipient reaction and delayed onset of water network formation [J] . Holger Schneider, J.Mathias Weber The Journal of Chemical Physics . 2007,第24期

机译：SF_6〜-·（H2O）_n（n = 1-3）的红外光谱：初反应和水网络形成的延迟发生
2. Infrared spectra of SF6-center dot(H2O)(n) (n=1-3): Incipient reaction and delayed onset of water network formation [J] . Schneider H, Weber JM The Journal of Chemical Physics . 2007,第24期

机译：SF6-中心点（H2O）（n）的红外光谱（n = 1-3）：初反应和水网络形成的延迟发生
3. Infrared spectra of SF6-center dot(H2O)(n) (n=1-3): Incipient reaction and delayed onset of water network formation [J] . Schneider H, Weber JM The Journal of Chemical Physics . 2007,第24期

机译：SF6-中心点（H2O）（n）的红外光谱（n = 1-3）：初反应和水网络形成的延迟发生
4. Structural and spectral features of (H2O...HF)n complexes where n=1-3 [C] . Natalja A. Zvereva, Tomsk State Univ., Tomsk, International symposium on atmospheric and ocean optics . 1999

机译：（H2O ... HF）n配合物的结构和光谱特征，其中n = 1-3
5. Network Reconstruction Using Time-Delayed Spike-Train Cross-Correlation with Limited Information and Classification According to Spectral Properties [D] . Volosov, Paulina. 2020

机译：根据光谱特性，使用时间延迟峰束横相关的网络重建与有限的信息和分类
6. Site-specific vibrational spectral signatures of water molecules in the magic H3O+(H2O)20 and Cs+(H2O)20 clusters [O] . Joseph A. Fournier, Conrad T. Wolke, Christopher J. Johnson, 2014

机译：H3O +（H2O）20和Cs +（H2O）20团簇中水分子的特定位置振动光谱特征
7. Formation of Abundant Pb(H2O)2+ by Ligand-Exchange Reaction between Pb(N2)n2+ (n = 1-3) and H2O [O] . -1

机译：通过Pb（N2）N 2+（n = 1-3）和H2O之间的配体交换反应形成丰富的Pb（H2O） 2+
8. DFT Calculation of IR Absorption Spectra for PCE-nH2O, TCE-nH2O, DCE-nH2O, VC-nH2O for Small and Water-Dominated Molecular Clusters. [R] . Huang, L., Lambrakos, S. G., Massa, L. 2017

机译：DFT计算pCE-nH2O，TCE-nH2O，DCE-nH2O，VC-nH2O对小分子和水分子团簇的红外吸收光谱。

Infrared spectra of SF_6~-·(H2O)_n(n=1-3):Incipient reaction and delayed onset of water network formation

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