Electron distribution in the xenon fluorides and xenon oxide tetrafluoride by ESCA and evidence for orbital independence in the xenon-fluorine bonding
Electron distribution in the xenon fluorides and xenon oxide tetrafluoride by ESCA and evidence for orbital independence in the xenon-fluorine bonding
复制标题
ESCA 得出的氟化氙和四氟化氙中的电子分布以及氙-氟键中轨道独立性的证据
DOI：
--
复制
发表时间：
1973
期刊：
影响因子：
--
通讯作者：
N. Bartlett
中科院分区：
文献类型：
--
作者：
T. Carroll;R. Shaw;T. Thomas;C. Kindle;N. Bartlett
：我们测量了化合物 Xe、XeF2、XeF4、XeF6、XeOFh 和 F2 中的氟 1s、氧 1s 和氙 3d 电子结合能。 Xe 中 3d,;, 的绝对结合能为 676.44 (5) eV，F2 中 1s 的绝对结合能为 696.71 (5) eV。氙 3do; 相对于氙的结合能（以电子伏特为单位）的位移为 XeF2, 2.87 (2); XeF4，5.41 (2)； XeF 6, 7.64 (3); XeOF4，7.07 (2)；与其他地方测量的结果非常一致。氟相对于F2的1s结合能为XeF2，-5.48 (4)； XeF4，-4.60 (5)； XeF6，-3.38 (5)； XeOF4，-3.62 (4)。 XeOF4 中氧的 1s 结合能比 02 中氧 1s 结合能的质心小 -3.29 (4) eV。测量到的位移小于从头计算预测的位移的一半。我们使用这些数据的点电荷模型将电荷分配给分子中的原子。对于 XeOF4 中氟上的所有分子，通过方法（穆斯堡尔对我们推导出的电荷之小或其与氟数量的独立性进行了现成的解释。这些是氟通过 1r 键将电荷广泛反馈给氙以及氙-氟键中轨道独立性的证据。XeOF 中氧电荷到氟电荷的关系
: We have measured fluorine 1s, oxygen 1s, and xenon 3d electron binding energies in the compounds Xe, XeF2, XeF4, XeF6, XeOFh and F2. The absolute binding energy for 3d,;, in Xe is 676.44 (5) eV and for 1s in F2 is 696.71 (5) eV. Shifts of xenon 3do;, binding energies (in electron volts) relative to that in xenon are XeF2, 2.87 (2); XeF4, 5.41 (2); XeF 6, 7.64 (3); XeOF4, 7.07 (2); in good agreement with those measured elsewhere. The fluorine 1s binding energies relative to F2 are XeF2, -5.48 (4); XeF4, -4.60 (5); XeF6, -3.38 (5); XeOF4, -3.62 (4). The oxygen 1s binding energy in XeOF4 is -3.29 (4) eV less than the centroid of the 1s binding energies in 02. The measured shifts are less than half those predicted by ab initio calculations. We have used a point charge model with these data to assign charges to the atoms in the molecules. For all of the molecules the charge on the fluorine in XeOF4, by methods (Mossbauer a ready explanation for the smallness of the charge we have derived or for its independence of the number of fluorines. these are evidence for extensive back donation of charge from the fluorines to the xenons via 1r bonds and for orbital independence in the xenon-fluorine bonding. The of oxygen charge to fluorine charge in XeOF