Abstract
Stable (CC13CHO)- may be formed in the chemical ionisation ion source of a VG ZAB 2HF mass spectrometer by the SN2(Si) reaction between Me3SiC[triple bond]C13CHO and F-. Vertical (Franck-Condon) one-electron oxidation of (CC13CHO)- in the first of the tandem collision cells of a VG ZAB 2HF mass spectrometer gives CC13CHO. Some of these neutrals have sufficient excess energy to effect rearrangement to HCC13CO, some of which are energised and to decompose to HCC. and 13CO. Thus the neutral rearrangement exclusively involves H migration: no products from O migration are detected. The corresponding two-electron oxidation of (CC13CHO)- gives mainly unrearranged (CC13CHO)+. A minority of these cations are energised and rearrange by H and O migration to yield (HCC13CHO)+ and (OCC13CHO)+ respectively. All experimental observations are backed up by molecular modelling at the CCSD(T)/aug-cc-pVDZ//B3LYP/6-31G(d) level of theory.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: European journal of mass spectrometry (Chichester, England)
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
