Electron diffraction water clusters

As early as the late 1960s the Orsay electron diffraction group in France successfully used a supersonic nozzle for production of large clusters of rare gas atoms, carbon dioxide and water [56-61]. Bartell and his coworkers at the University of Michigan [62-65] continued this important research in the early 1980s. First, formation of benzene clusters was studied... 

Some fundamental aspects of the nucleation process have been investigated by molecular dynamics (MD) methods. In a recent review [44] the advantages and limitations of molecular cluster models in simulating the dynamics of nucleation and phase changes have been discussed. In this approach, molecular dynamic simulations are correlated with experimental nucleation rates extracted from electron diffraction patterns of molecular supersonic jets. The dynamics of freezing of ammonia, CCI4 and water, and the phase transformations of t-butyl chloride have been analysed. A useful feature of the MD computational... 

When w < 1, water-metal interactions are dominant, and water molecules will wet the metal surface. When w 1, on the other hand, water-water interactions are more significant, resulting in cluster formation rather than surface wetting. For Au(lll) w is close to 3, whereas on Pt(l 11) w 1. In line with this theoretical prediction, formation of ordered structures on Pt(lll) has heen confirmed using low-energy electron diffraction [61, 62]. 

Scheme 4.8 - 649, thus forming an adamantanoid cluster (H20)io (so-called molecular ice ) within its cavity. Such molecular ice does not melt even at room temperature and is not sustained by any metal cation or anion coordination [10] it flUs the void of the cavity of 488 forming OH...% and H2O... K interactions. A single-crystal neutron diffraction smdy of [10] showed that the cluster (H20)io donated the electrons of a lone pair of the bridgehead water molecule. 

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