Calculations of the binding energies of weakly bound He-He-H, He-He-H^-and He-H-H molecules

Abstract

Abstract. We searched for the existence of weakly bound He-He-H, He-He-H − and He-H-H molecules where the binding energies are expected to be of the order of degrees Kelvin. By employing the best empirical interaction between each pair of particles, we solved the Schrödinger equation for the triatomic systems using hyperspherical coordinates in the adiabatic approximation. We found no bound states for 4 He-4 He-1 H, three bound states for 4 He-4 He-1 H − and one bound state for 4 He-1 H-1 H. Bound states for other isotope combinations are also examined.

The structure of a weakly bound ionic trimer: Calculations for the He24H− complex

“…As mentioned before, several calculations have been carried out recently on the structure of the bound states supported by the 4 He 2 H Ϫ triatomic complex 19,23 and, therefore, it also becomes of interest to compare the earlier findings with the present results. Recent variational and diffusion Monte Carlo calculations ͑VMC and DMC͒ 19 have been based on the same potential form as that used by us in Eq.…”

“…1 the relative shapes and strength values of the 2B potentials considered here: The HeH Ϫ interaction is clearly shallower and more repulsive than the corresponding HeHe potential, as already seen by previous work. 15,18,23 However, the different shape of the long-range tail of the 2B interaction makes the HeH Ϫ potential capable of supporting a more strongly bound state which is more ''compact'' in space, albeit still very diffuse, than the corresponding bound state of 4 He 2 . 21 The simplest construction of a three-body ͑3B͒ interaction potential for the trimer is to treat the system as a sum of 2B interactions between partners…”

“…It is the one which has been used in all the previous calculations for this trimer. 19,23 In Fig. 2 we present the potential-energy maps obtained from our potential via Eq.…”

Synthesis and recognition properties of colorimetric anion chemosensor bearing 2,4-dinitrophenylhydrazone and indene-1,3-dione moieties

“…There is an increasing attention toward the development of colorimetric probes which have the advantage of showing easily observable color changes in the presence of target guests. Synthetic receptors for anions are usually based on macrocyclic ammonium/ guanidinium [8,9] and imidazolium [10,11], amides [12], sulfonamides [13], carbamates [14], urea/thioureas [15][16][17][18], functionalized calixarenes [19], aromatics such as pyrrole, carbazole and indole [20][21] and particularly phenylhydrazone [22], which is a kind of neutral receptor and has a simple synthetic method. Phenylhydrazone derivatives exhibit such an obvious color change when anion is added that one can use naked-eye detection without resorting to spectroscopic instrumentation [23].…”

“…It was characterized by IR and 1 H, 13 C NMR and MS spectroscopic techniques. It is reported that it could be a highly selective chemosensor for fluoride, cyanide, acetate, hydroxide and hydrogen phosphate anions.…”