Buscar
Mostrando ítems 1-3 de 3
Lewis acid-base behavior of hypervalent halogen fluorides in gas phase
(Springer, 2017)
Theoretical studies on Lewis acid-base behavior of
hypervalent halogen fluorides, F3X and F5X (X = Cl, Br, I)
have been instrumental in guiding this work. We have also
examined whether the hole-lump concept explains the ...
Multicenter (FX)n/NH3 halogen bonds (X = Cl, Br and n = 1–5). QTAIM descriptors of the strength of the X…N interaction
(Molecular Diversity Preservation International, 2017)
In the present work an in depth deep electronic study of multicenter XBs (FX)n/NH3
(X = Cl, Br and n = 1–5) is conducted. The ways in which X X lateral contacts affect the electrostatic
or covalent nature of the X N ...
Is σ-hole an electronic exchange channel in YX⋯CO interactions?
(Elsevier Science, 2018)
A theoretical study of linear YX⋯CO complexes (in which YX are diatomic interhalogens or hydrogen halide) has
been performed to high-level quantum chemical calculations. Calculations show that at the equilibrium geometry,
the ...