PCCP does exist

Bronstrup, M., Gottfriedsen, J., Kretzschmar, I., Blanksby, S.J., Schwarz, H., & Schumann, H. (2000) PCCP does exist. Physical Chemistry Chemical Physics, 2(10), pp. 2245-2250.

View at publisher


Neutral and cationic [C-2,P-2] were investigated by a combination of mass spectrometry and electronic structure calculations. The cationic [C-2,P-2](.+) potential energy surface including all relevant minima, transition states and fragmentation products was calculated at the B3LYP/6-311G(3df) level of theory. The most stable structures are linear PCCP.+ 1(.+) (E-rel=0 kcal mol(-1)), a three-membered ring with exocyclic phosphorus c-(PCC)-P 2(.+) (E-rel = 40.8 kcal mol(-1)), and the rhombic isomer 3(.+) (E-rel = 24.9 kcal mol(-1)). All fragmentation channels are significantly higher in energy than any of the [C-2,P-2](.+) isomers. Experimentally, [C-2,P-2](.+) ions are generated under high vacuum conditions by electron ionization of two different precursors. The fragmentation of [C-2,P-2](.+) on collisional activation is preceded by rearrangement reactions which obscure the structural connectivity of the ions. The existence and the high stability of neutral [C-2,P-2] were proved by a neutralization-reionization (NR) experiment. Although an unambiguous structural assignment of the neutral species cannot be drawn, both theory and experiment suggest that the long-sought neutral, linear PCCP 1 is generated using the NR technique.

Impact and interest:

15 citations in Scopus
13 citations in Web of Science®
Search Google Scholar™

Citation counts are sourced monthly from Scopus and Web of Science® citation databases.

These databases contain citations from different subsets of available publications and different time periods and thus the citation count from each is usually different. Some works are not in either database and no count is displayed. Scopus includes citations from articles published in 1996 onwards, and Web of Science® generally from 1980 onwards.

Citations counts from the Google Scholar™ indexing service can be viewed at the linked Google Scholar™ search.

ID Code: 69975
Item Type: Journal Article
Refereed: Yes
Additional URLs:
Keywords: reionization mass-spectrometry, gas-phase, phosphorus
DOI: 10.1039/b000225i
ISSN: 1463-9084 (online) 1463-9076 (print)
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2000 Royal Society of Chemistry Publications
Deposited On: 08 Apr 2014 05:55
Last Modified: 19 May 2017 01:47

Export: EndNote | Dublin Core | BibTeX

Repository Staff Only: item control page