FA-SIFT study of the reactions of H3O+·(H2O)n (n = 0, 1, 2), NO+ and O2radical dot+ with the terpenoid aldehydes citral, citronellal and myrtenal and their alcohol analogues
| dc.contributor.author | Amelynck, C. | |
| dc.contributor.author | Mees, B. | |
| dc.contributor.author | Schoon, N. | |
| dc.contributor.author | Bultinck, P. | |
| dc.date | 2015 | |
| dc.date.accessioned | 2016-03-24T11:11:14Z | |
| dc.date.available | 2016-03-24T11:11:14Z | |
| dc.identifier.uri | https://orfeo.belnet.be/handle/internal/2726 | |
| dc.description | Biogenic volatile organic compounds (BVOCs) significantly contribute to atmospheric chemistry, air quality and climate. On-line detection of these compounds can be performed by Selected Ion Flow Tube-Mass Spectrometry (SIFT-MS), provided the rate constants and product ion distributions of the underlying ion/molecule reactions are known. These parameters are presented for the reactions of the SIFT-MS reagent ions H3O+·(H2O)n (n = 0–2), NO+ and O2radical dot+ with the terpenoid aldehydes citral, citronellal and myrtenal and the terpenoid alcohols citronellol and myrtenol. The experiments were performed at 295 K and 1.5 hPa in a Flowing Afterglow Selected Ion Flow Tube (FA-SIFT) instrument. All studied reactions proceed at the collision rate which is beneficial for the BVOC detection sensitivity. Non-dissociative proton transfer, and elimination of a water molecule or simultaneous ejection of a water molecule and C4H8 following protonation were observed as the major mechanisms for most H3O+ reactions. Reactions of H3O+·(H2O) mainly proceeded by non-dissociative proton transfer, possibly followed by ejection of a water molecule, whereas the main observed mechanism for H3O+·(H2O)2 reactions was ligand switching followed by elimination of up to three water molecules. Charge transfer occurred for all NO+ reactions and was accompanied by other major mechanisms such as hydride transfer and/or elimination of a water molecule following charge transfer and/or ternary association. The O2radical dot+ reactions generally resulted in strong fragmentation. The product ion distributions suggest that selective detection of some isomeric terpenoids might be possible. However, interference with simultaneously emitted monoterpenes could be a problem. | |
| dc.language | eng | |
| dc.title | FA-SIFT study of the reactions of H3O+·(H2O)n (n = 0, 1, 2), NO+ and O2radical dot+ with the terpenoid aldehydes citral, citronellal and myrtenal and their alcohol analogues | |
| dc.type | Article | |
| dc.subject.frascati | Chemical sciences | |
| dc.audience | Scientific | |
| dc.source.title | International Journal of Mass Spectrometry | |
| dc.source.volume | 379 | |
| dc.source.page | 52-59 | |
| Orfeo.peerreviewed | Yes | |
| dc.identifier.doi | 10.1016/j.ijms.2014.12.005 |
