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Self‐chemical ionization of diethylzinc
Author(s) -
Freitas Michael A.,
Dillon Stephanie R.,
Dougherty Ralph C.,
Marshall Alan G.
Publication year - 1999
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/(sici)1097-0231(19990815)13:15<1622::aid-rcm687>3.0.co;2-x
Subject(s) - chemistry , diethylzinc , ionization , organic chemistry , catalysis , ion , enantioselective synthesis
The self‐chemical ionization of diethylzinc is examined by Fourier transform ion cyclotron resonance (FT‐ICR) mass spectrometry and semiempirical molecular orbital calculations. Electron impact of diethylzinc neutral produces the radical cation, C 4 H 15 Zn + ( m/z × 122), which reacts further with the neutral (C 2 H 5 ) 2 Zn to give the following product ions: Zn + ( m/z × 64), C 2 H 5 Zn + ( m/z × 93), C 4 H 9 Zn + ( m/z × 121), C 4 H 11 Zn 2 + ( m/z × 187), and C 6 H 15 Zn 2 + ( m/z × 215). To determine the structure and pathways for production of these ions, monoisotopic 12 C 4 H 15 64 Zn + , 64 Zn + and 12 C 2 H 5 64 Zn + were individually isolated and reacted with the neutral background. We also performed semiempirical molecular orbital calculations (ZINDO/1). The molecular orbital calculations and experimental data are consistent in predicting that the ethyl group on the diethylzinc cation carries the positive charge. Copyright © 1999 John Wiley & Sons, Ltd.