“School of Nano-Sciences”
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| Paper IPM / Nano-Sciences / 14504 |
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| Abstract: | |||||
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Discovered in glow discharge in 1980, molecular ion H3+ presented a quantum mechanical enigma that took scientists a decade and a half to solve. Its assigned spectrum helped spot the first signs of its presence among dense interstellar clouds. H3+ was also thought to be a reactive protonating agent in space. Later, it was also discoveredin diffuse clouds. H3+ owes its ubiquity to the reaction of cosmic rays with the ever-present element in the interstellar space, the hydrogen molecule. Through
a description of molecular orbital diagrams, not only
the high concentrations of H3+, but also high D/H ratios
observed in cold interstellar dense clouds can be justified.A series of complexation/solvation mechanisms were used to study ion clusters H+ 2n+1 (n=1-10). Electrostatic potential charge analysis and typical intrinsic reaction coordinate computations show a Lennard-Jones tailing effect, characteristic of liquid phase behavior, which suggest a solvation mechanism for H11+ to H23+ that needs further molecular dynamic computations to get more insight on the kinetics of solvation.
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