Self-chemical ionization of diethylzinc

✍ Scribed by Michael A. Freitas; Stephanie R. Dillon; Ralph C. Dougherty; Alan G. Marshall

• Publisher: John Wiley and Sons
• Year: 1999
• Tongue: English
• Weight: 133 KB
• Volume: 13
• Category: Article
• ISSN: 0951-4198
• DOI: 10.1002/(sici)1097-0231(19990815)13:15<1622::aid-rcm687>3.0.co;2-x

✦ Synopsis

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.