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Title: Mechanism of H/D exchange in the reaction of BH{sub 2}{sup +} + deuterium

Abstract

Ionization of diborane by electron impact in the source of a Flowing Afterglow-Selected Ion Flow Tube (FA-SIFT) gives rise to an enormous number of borohydride anions and cations. Many of these ions have been identified by earlier studies in an ICR, or analyzed using ab initio computations. Because boron consists of appreciable amounts of two isotopes, {sup 10}B and {sup 11}B, several different ionic species may appear at the same mass. The ion at m/z=13 is purely the {sup 11}BH{sub 2}+ isotopomer. The FA-SIFT enables selection of this ion out of the source mixture using a source quadrupole. This {open_quotes}SIFTed{close_quotes} ion can then be injected into a second flow tube for reaction studies. The chemistry of BH{sub 2}+ has been initially probed by studying the mechanism and energetics of H/D exchange in the reaction of BH{sub 2}+ + D{sub 2}. BH{sub 2}+ is the boron analog of methyl cation, and it is hoped that comparisons of the chemistry of these two ions will elucidate mechanistic aspects of the reactions of methyl cation. Ab initio computations have been carried out to help define the reaction pathway.

Authors:
; ; ;  [1]
  1. Univ. of Colorado, Boulder, CO (United States)
Publication Date:
OSTI Identifier:
210585
Report Number(s):
CONF-9505261-
TRN: 96:001157-0024
Resource Type:
Conference
Resource Relation:
Conference: 43. American Society of Mass Spectrometry (ASMS) conference on mass spectrometry and allied topics, Atlanta, GA (United States), 21-26 May 1995; Other Information: PBD: 1995; Related Information: Is Part Of Proceedings of the 43rd ASMS conference on mass spectrometry and allied topics; PB: 1411 p.
Country of Publication:
United States
Language:
English
Subject:
40 CHEMISTRY; DEUTERIUM; ISOTOPIC EXCHANGE; BORON HYDRIDES; CHEMICAL REACTIONS; MASS SPECTROSCOPY; MATHEMATICAL MODELS

Citation Formats

Hankin, J A, Davico, G E, DePuy, C H, and Damrauer, R. Mechanism of H/D exchange in the reaction of BH{sub 2}{sup +} + deuterium. United States: N. p., 1995. Web.
Hankin, J A, Davico, G E, DePuy, C H, & Damrauer, R. Mechanism of H/D exchange in the reaction of BH{sub 2}{sup +} + deuterium. United States.
Hankin, J A, Davico, G E, DePuy, C H, and Damrauer, R. 1995. "Mechanism of H/D exchange in the reaction of BH{sub 2}{sup +} + deuterium". United States.
@article{osti_210585,
title = {Mechanism of H/D exchange in the reaction of BH{sub 2}{sup +} + deuterium},
author = {Hankin, J A and Davico, G E and DePuy, C H and Damrauer, R},
abstractNote = {Ionization of diborane by electron impact in the source of a Flowing Afterglow-Selected Ion Flow Tube (FA-SIFT) gives rise to an enormous number of borohydride anions and cations. Many of these ions have been identified by earlier studies in an ICR, or analyzed using ab initio computations. Because boron consists of appreciable amounts of two isotopes, {sup 10}B and {sup 11}B, several different ionic species may appear at the same mass. The ion at m/z=13 is purely the {sup 11}BH{sub 2}+ isotopomer. The FA-SIFT enables selection of this ion out of the source mixture using a source quadrupole. This {open_quotes}SIFTed{close_quotes} ion can then be injected into a second flow tube for reaction studies. The chemistry of BH{sub 2}+ has been initially probed by studying the mechanism and energetics of H/D exchange in the reaction of BH{sub 2}+ + D{sub 2}. BH{sub 2}+ is the boron analog of methyl cation, and it is hoped that comparisons of the chemistry of these two ions will elucidate mechanistic aspects of the reactions of methyl cation. Ab initio computations have been carried out to help define the reaction pathway.},
doi = {},
url = {https://www.osti.gov/biblio/210585}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun Dec 31 00:00:00 EST 1995},
month = {Sun Dec 31 00:00:00 EST 1995}
}

Conference:
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