Ionization of decaborane with controlled hydrogen content by charge transfer from ambient gas-Reference-Cited by-同舟云学术

Ionization of decaborane with controlled hydrogen content by charge transfer from ambient gas

Published:2011 Issue: Volume:1307 Page:
ISSN:0272-9172
Container-title:MRS Proceedings
language:en
Short-container-title:MRS Proc.

Author:

Ohishi Yuji,Kimura Kaoru,Yamaguchi Masaaki,Uchida Noriyuki,Kanayama Toshihiko

Abstract

ABSTRACTWe present the ionization of decaborane (B10H14) and formation of hydrogen- and boron-contents-controlled B10-yHx+ through the charge transfer from ambient gas ion to decaborane molecules in an external quadrupole static attraction ion trap. The charge transfer energy is estimated from the experimentally observed products. PBE0/6-311+G(d)//B3LYP/6-31G(d) level of DFT calculations are conducted to investigate the mechanism of charge transfer from ambient gas ion. The calculation of the difference of ionization energies and mismatch of orbital energies between decaborane and ambient gas reveals the mechanism of ionization.

Publisher

Springer Science and Business Media LLC

Subject

General Engineering

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