• 1
  • 2
  • 3
  • 4

“School of Nano-Sciences”

Back to Papers Home
Back to Papers of School of Nano-Sciences

Paper   IPM / Nano-Sciences / 14504
School of Nano Science
  Title:   Do coordinating and solvating effects of H2 explain high concentrations of H3+ in interstellar dense clouds? A molecular orbital study of hydrogen cluster ions H3+ to H21+
1 . Nader Sakhaee
2 . Seifollah Jalili
  Status:   Published
  Journal: J. Iran. Chem. Society
  No.:  9
  Vol.:  13
  Year:  2016
  Pages:   1561
  Publisher(s):   Springer
  Supported by:  IPM
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.

Download TeX format
back to top
Clients Logo
Clients Logo
Clients Logo
Clients Logo
Clients Logo
Clients Logo
Clients Logo
Clients Logo
scroll left or right