Distance dependence of through-bond electron transfer rates in electron-capture and electron-transfer dissociation

International Journal of Mass Spectrometry

Volumn 253, Issue 3, 2006, Pages 274-280

  Sobczyk, Monika ^a   Simons, Jack ^a  

^a UNIVERSITY OF UTAH   (United States)

Author keywords

Disulfide bond cleavage; Electron capture dissociation; Electron transfer; Through bond

Indexed keywords

EID: 33745272965     PISSN: 13873806     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijms.2006.05.003     Document Type: Article

References (33)

1. Sobczyk M., and Simons J. J. Phys. Chem. B 110 (2006) 7519
2. Anusiewicz I., Berdys-Kochanska J., Skurski P., and Simons J. J. Phys. Chem. A 110 (2006) 1261
3. Anusiewicz I., Berdys-Kochanska J., and Simons J. J. Phys. Chem. A 109 (2005) 5801
4. Syka J.E.P., Coon J.J., Schroeder M.J., Shabanowitz J., and Hunt D.F. Proc. Natl. Acad. Sci. 101 (2004) 9528
5. Coon J.J., Syka J.E.P., Schwartz J.C., Shabanowitz J., and Hunt D.F. Int. J. Mass Spectrom. 236 (2004) 33
6. Pitteri S.J., Chrisman P.A., and McLuckey S.A. Anal. Chem. 77 (2005) 5662
7. Gunawardena H.P., He M., Chrisman P.A., Pitteri S.J., Hogan J.M., Hodges B.D.M., and McLuckey S.A. J. Am. Chem. Soc. 127 (2005) 12627
8. Zubarev R.A., Kelleher N.L., and McLafferty F.W. J. Am. Chem. Soc. 120 (1998) 3265
9. Zubarev R.A., Kruger N.A., Fridriksson E.K., Lewis M.A., Horn D.M., Carpenter B.K., and McLafferty F.W. J. Am. Chem. Soc. 121 (1999) 2857
10. Zubarev R.A., Horn D.M., Fridriksson E.K., Kelleher N.L., Kruger N.A., Lewis M.A., Carpenter B.K., and McLafferty F.W. Anal. Chem. 72 (2000) 563
11. Zubarev R.A., Haselmann K.F., Budnik B., Kjeldsen F., and Jensen F. Eur. J. Mass Spectrom. 8 (2002) 337
12. Much of the pioneering work aimed at understanding the mechanism(s) by which ECD operates has been reported in refs. 3a-d and by the Turecek and Uggerud groups in, for example, the following:. Syrstad E.A., and Turecek F. J. Phys. Chem. A 105 (2001) 11144
13. Turecek F., and Syrstad E.A. J. Am. Chem. Soc. 125 (2003) 3353
14. Turecek F., Polasek M., Frank A., and Sadilek M. J. Am. Chem. Soc. 122 (2000) 2361
15. Syrstad E.A., Stephens D.D., and Turecek F. J. Phys. Chem. A 107 (2003) 115
16. Turecek F. J. Am. Chem. Soc. 125 (2003) 5954
17. Syrstad E.A., and Truecek F. J. Am. Soc. Mass. Spectrom. 16 (2005) 208
18. Uggerud E. Int. J. Mass. Spectrom. 234 (2004) 45
19. Kendall R.A., Dunning Jr. T.H., and Harrison R.J. J. Chem. Phys. 96 (1992) 6796
20. Gutowski M., and Simons J. J. Chem. Phys. 93 (1990) 3874
21. Skurski P., Gutowski M., and Simons J. Int. J. Quantum Chem. 80 (2000) 1024
22. See, for example, the description offered in. Anusiewicz I., Berdys J., Sobczyk M., Sawicka A., Skurski P., and Simons J. J. Phys. Chem. A 109 (2005) 250
23. See, for example,. Nestmann B., and Peyerimhoff S.D. J. Phys. B 18 (1985) 615
24. Nestmann B., and Peyerimhoff S.D. J. Phys. B 18 (1985) 4309
25. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, and J.A. Pople, Gaussian, Inc., Wallingford CT, (2004).
26. Schaftenaar G., and Noordik J.H. J. Comput. Aided Mol. Des. 14 (2000) 123
27. McConnell H.M. J. Chem. Phys. 35 (1961) 508
28. Hoffmann R. Acc. Chem. Res. 4 (1971) 1
29. Newton M.D. Int. J. Quantum Chem. 77 (2000) 255
30. Jordan K.D., and Paddon-Row M.N. Chem. Rev. 92 (1992) 395
31. Paulson B.P., Curtiss L.A., Bal B., Closs G.L., and Miller J.R. J. Am. Chem. Soc. 118 (1996) 378
32. 3 group-localized orbital to be on the contour line within which 60% of that Rydberg orbital's integrated electron density resides and, on this contour, at the furthest distance from the S{single bond}S midpoint.
33. Of course, this speed is a classical quantity whereas the true S{single bond}S bond motion is governed by quantum mechanics. Moreover, this is only the average speed; the speed is higher near the mid-point of the vibration and lower near the turning points.