Experimental and computational study of the [2 + 2] dissociation of rhenaoxetanes in the gas phase

Organometallics

Volumn 24, Issue 13, 2005, Pages 3040-3042

  Zhang, Xiangyang ^a   Narancic, Sanja ^a   Chen, Peter ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ANALYSIS; DISSOCIATION; IONIZATION; KINETIC ENERGY; MASS SPECTROMETERS; OXIDATION; PHASE TRANSITIONS; RHENIUM COMPOUNDS; THERMOANALYSIS; XENON;

COLLISION-INDUCED DISSOCIATION (CID); ELECTROSPRAY IONIZATION TANDEM MASS SPECTROMETRIC (ESI-MS/MS) STUDIES; GAS PHASE; RHENAOXETANES;

ORGANIC COMPOUNDS;

EID: 23144456143     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om0502842     Document Type: Article

References (24)

1. Böseken, J. Recl. Trav. Chim. Pays-Bas 1922, 41, 199.
2. Criegee, R. Liebigs Ann. Chem. 1936, 522, 75.
3. Criegee, R. Angew. Chem. 1937, 50, 153.
4. Criegee, R. Angew. Chem. 1938, 61, 519.
5. Criegee, R.; Marchand, B.; Wannowias, H. Liebigs Ann. Chem. 1942, 550, 99.
6. Sharpless, K. B.; Teranishi, A. Y.; Bäckvall, J. E. J. Am. Chem. Soc. 1977, 99, 3120.
7. DelMonte, A. J.; Haller, J.; Houk, K. N.; Sharpless, K. B.; Singleton, D. A.; Thomas, A. A. J. Am. Chem. Soc. 1997, 119, 9907 and references therein.
8. For a review of the extensive computational literature, see: Deubel, D. V.; Frenking, G. Acc. Chem. Res. 2003, 36, 645.
9. Chen, X.; Zhang, X.; Chen, P. Angew. Chem., Int. Ed. 2003, 42, 3798.
10. Zhang, X.; Chen, X.; Chen, P. Organometallics 2004, 23, 3437.
11. Narancic, S.; Chen, P. Organometallics 2005, 24, 10.
12. Sharpless, K. B. Angew. Chem., Int. Ed. 2002, 41, 2024.
13. A comprehensive review can be found in: Marks, T. J. In Bonding Energetics in Organometallic Compounds; ACS Symposium Series 428; American Chemical Society: Washington DC, 1990; pp 1-17.
14. 2 was electrosprayed as described in ref 5. The ESI-MS/MS spectra can be seen in the Supporting Information.
15. The measurement was done at 240, 180, 118, and 58 μTorr of xenon and then extrapolated to zero pressure.
16. Armentrout, P. B. Thermochemical Measurements by Guided Ion Beam Mass Spectrometry; JAI Press: Greenwich, CT, 1992; Vol. 1.
17. Rodgers, M. T.; Armentrout, P. B. J. Phys. Chem. A 1997, 101, 1238 and references therein.
18. Gerlich, D. In State-Selected and State-to-State Ion - Molecule Reaction Dynamics; Ng, C. Y., Baer, M., Eds.; Wiley: New York, 1992; Part 1, pp 1-176.
19. te Velde, G.; Bickelhaupt, F. M.; Baerends, E. J.; Guerra, C. F.; van Gisbergen, S. J. A.; Snijders, J. G.; Ziegler, T. J. Comput. Chem. 2001, 22, 931.
20. Pople, J. A., et al. Gaussian 03, Revision C.02; Gaussian, Inc., Pittsburgh, PA, 2003.
21. For example, relativistic effects on thermochemical predictions are large and are only approximately treated by effective core potentials. Pyykkö, P. Chem. Rev. 1988, 88, 563.
22. Suzumura, T.; Nakajima, T.; Hirao, K. Int. J. Quantum Chem. 1999, 75, 757.
23. Liu, W.; Franke, R. J. Comput. Chem. 2002, 23, 564.
24. Koseki, S.; Ishihara, Y.; Fedorov, D.; Umeda, H.; Schmidt, M. W.; Gordon, M. S. J. Phys. Chem. A 2004, 108, 4707.