Crystal and Molecular Structure of Xenon Tetrafluoride

Covalent and Non-covalent Noble Gas Bonding Interactions in XeFn Derivatives (n = 2–6): A Combined Theoretical and ICSD Analysis

“…The sum of van der Waal radii of Xe and F is R vdw = 3.63 Å and the sum of their covalent radii is R cov = 1.97 Å. Figure 1 (top) shows several assemblies retrieved from the X-ray structure of XeF 2 (Templeton et al, 1963) and three of its cocrystals, i.e., [XeF 2 (Jones et al, 1970) (Burns et al, 1965). It can be observed that all X-ray structures present Xe•••F contacts with distances that are clearly longer than R cov and shorter than R vdw thus suggesting the non-covalent nature of these NgBs.…”

On the stereochemistry of valence bonds and the structures of XeO3, XeF4 and XeF2

“…XeF 4 is monoclinic, a = 5.05, b = 5.92, c = 5.77/k, fl = 99.6 ° (Templeton, Zalkin, Forrester & Williamson, 1963a). The volume per fluorine and lone pair is rather low, 14.2 ~3, which indicates that the two lone pairs could be closer to their nuclei than the lone pair is in Xe 6+.…”

Force field, Coriolis coupling coefficients, generalized mean square amplitudes of vibration and shrinkage constants of XeF4 and XeOF4

“…The following is the scheme of Coriolis coupling that exists in XeF 4 and XeOF4: The ~%values (~ : x, y, z) were obtained after the method of MEAL and POLO [7]. We have noted the following sum rules in the case of XeF4: …”