A configurational study of helium clusters doped with He(∗-) and He2(∗-)

The Journal of Chemical Physics
R Rodríguez-CantanoF A Gianturco

Abstract

Helium clusters doped with electronically excited atomic and molecular helium anions He(∗-) and He2(∗-) at T = 0.4 K are studied by means of path integral Monte Carlo calculations. Geometry and energetics of the systems with up to 32 solvating He atoms are characterised. The interactions between the anions and the neutral He atoms have been described by fitting previously reported ab initio points to analytical expressions. The HeN-He(∗-) clusters with N > 6 display a structure defined by a bipyramid which completely solvates the atomic anion, whereas the rest of surrounding He atoms form a dimple around that initial cage. On the contrary, the structures observed for the HeN-He2(∗-) clusters clearly show the dopant located outside the helium droplet, thereby confirming the heliophobic character of He2(∗-).

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Jul 2, 2010·The Journal of Chemical Physics·R Pérez de TudelaP Villarreal
Mar 26, 2011·The Journal of Physical Chemistry. a·Grégroire GuillonRobert E Zillich
May 19, 2011·The Journal of Physical Chemistry. a·Ricardo Pérez de TudelaErsin Yurtsever
Feb 11, 2012·The Journal of Physical Chemistry. a·R Rodríguez-CantanoF A Gianturco
May 14, 2014·The Journal of Physical Chemistry. a·Johannes PostlerPaul Scheier
May 29, 2014·The Journal of Physical Chemistry. a·Stefan E Huber, Andreas Mauracher
May 30, 2014·The Journal of Physical Chemistry. a·Ricardo Pérez de TudelaRita Prosmiti
Jul 30, 2014·The Journal of Physical Chemistry Letters·Andreas MauracherJ Peter Toennies

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Citations

Dec 17, 2015·The Journal of Chemical Physics·Rocío Rodríguez-CantanoJosé Bretón
Apr 9, 2016·The Journal of Physical Chemistry. a·Rocio Rodriguez-CantanoJosé Bretón
Jan 23, 2017·The Journal of Chemical Physics·Rocío Rodríguez-CantanoJosé Bretón
Apr 22, 2019·The Journal of Chemical Physics·Ricardo Pérez de TudelaPablo Villarreal
Oct 31, 2015·The Journal of Physical Chemistry. a·Pablo VillarrealFranco A Gianturco

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