On the bonding of small group 12 clusters

Spectroscopy of the 11u(51P1) and singlet electronic states of cadmium dimer: Bond lengths and verification of ab initio potentials

“…1). The conclusion supported a hypothesis of a covalent admixture to the dominating ground-state vdW bonding in cadmium dimer [14][15][16].…”

“…For the group-12 M 2 dimers, a covalent admixture to a dominant ground-state vdW interaction was found in theoretical investigations [14][15][16]31,32]. It was corroborated in experimental studies for Hg 2 [33,34], Cd 2 [19] and -preliminarily -Zn 2 [35].…”

“…The analysis enabled a direct determination of the groundstate (as well as the excited-state) bond lengths R e and confront them with those of others group-12 metal dimers (i.e., Zn 2 and Hg 2 ). Eventually, it should be possible to support a theoretical hypothesis of a covalent admixture to the dominant vdW bonding in group-12 dimers [e.g., [14][15][16]. The second goal of this work was to verify the latest results of ab initio calculations [12,13] and point out these which are closest to the experimental findings.…”

Correlations between the energetics of ZnCd nanoparticles and some of their corresponding bulk properties: molecular-dynamics simulations

“…Therefore, probing the transition from van der Waals to metallic bonding in divalent metal clusters has been an interesting topic in cluster physics and/or chemistry. Among the divalent metal clusters zinc [4][5][6][7][8][9][10] and cadmium [4,[8][9][10][11][12][13][14][15][16] elemental clusters have been studied, but their mixture, namely zinc-cadmium alloy clusters have not been studied much, except our recent works [8][9][10].…”

Collision Induced Raman Scattering as a Probe of Covalent Bonding in Mercury Diatoms

“…Also ab initio calculations of the interatomic potential have been communicated where, in particular, it has been pointed out that an important covalent contribution to bonding should be present [5,6]. In another series of papers the arising of a covalent bonding has been studied as a function of cluster dimension both experimentally [7-11] and theoretically [12][13][14][15][16]. It is now rather well established that when increasing the size of the cluster of mercury atoms there is a transition from van der Waals to covalent and metallic bonding.…”