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/content/aip/journal/jcp/139/18/10.1063/1.4830397
1.
1. H. Xu, T. Okino, K. Nakai, and K. Yamanouchi, Progress in Ultrafast Intense Laser Science VII, edited by K. Yamanouchi, D. Charalambidis, and D. Normand (Springer, Berlin, 2011), p. 35.
2.
2. T. Okino, Y. Furukawa, P. Liu, T. Ichikawa, R. Itakura, K. Hoshina, K. Yamanouchi, and H. Nakano, Chem. Phys. Lett. 419, 223 (2006).
http://dx.doi.org/10.1016/j.cplett.2005.11.059
3.
3. W. C. Swope, H. C. Andersen, P. H. Berens, and K. R. Wilson, J. Chem. Phys. 76, 637 (1982).
http://dx.doi.org/10.1063/1.442716
4.
4. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., Gaussian 09, Revision A.1, Gaussian, Inc., Wallingford, CT, 2009.
5.
5. J. H. D. Eland, Rapid Commun. Mass Spectrom. 10, 1560 (1996).
http://dx.doi.org/10.1002/(SICI)1097-0231(199609)10:12<1560::AID-RCM707>3.0.CO;2-S
6.
6. R. K. Kushawaha and B. Bapat, Chem. Phys. Lett. 463, 42 (2008).
http://dx.doi.org/10.1016/j.cplett.2008.08.019
7.
7. N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller, and E. Teller, J. Chem. Phys. 21, 1087 (1953).
http://dx.doi.org/10.1063/1.1699114
8.
8. Y. Furukawa, K. Hoshina, K. Yamanouchi, and H. Nakano, Chem. Phys. Lett. 414, 117 (2005).
http://dx.doi.org/10.1016/j.cplett.2005.07.108
9.
9. T. Okino, Y. Furukawa, P. Liu, T. Ichikawa, R. Itakura, K. Hoshina, K. Yamanouchi, and H. Nakano, J. Phys. B: At. Mol. Opt. Phys. 39, S515 (2006).
http://dx.doi.org/10.1088/0953-4075/39/13/S24
10.
10. A. M. Mebel and A. D. Bandrauk, J. Chem. Phys. 129, 224311 (2008).
http://dx.doi.org/10.1063/1.3037204
11.
11. P. M. Kraus, M. C. Schwarzer, N. Schirmel, G. Urbasch, G. Frenking, and K.-M. Weitzel, J. Chem. Phys. 134, 114302 (2011).
http://dx.doi.org/10.1063/1.3561311
12.
12. K. Hoshina, Y. Furukawa, T. Okino, and K. Yamanouchi, J. Chem. Phys. 129, 104302 (2008).
http://dx.doi.org/10.1063/1.2973588
13.
13. H. Xu, T. Okino, and K. Yamanouchi, Chem. Phys. Lett. 469, 255 (2009).
http://dx.doi.org/10.1016/j.cplett.2008.12.097
14.
14. T. Okino, A. Watanabe, H. Xu, and K. Yamanouchi, Phys. Chem. Chem. Phys. 14, 4230 (2012).
http://dx.doi.org/10.1039/c2cp23880b
15.
15. R. Kanya, T. Kudou, N. Schirmel, S. Miura, K.-M. Weitzel, K. Hoshina, and K. Yamanouchi, J. Chem. Phys. 136, 204309 (2012).
http://dx.doi.org/10.1063/1.4720503
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/content/aip/journal/jcp/139/18/10.1063/1.4830397
2013-11-13
2016-12-04

Abstract

The ejection of triatomic hydrogen molecular ions HD + and D + from CDOH2+ is investigated by first-principle molecular dynamics simulation. Two C–D chemical bonds are found to be broken to form a neutral D moiety that vibrates, rotates, and moves for a relatively long period of time (20–330 fs) towards a transition state leading to the ejection of HD + or D +. The formation of such a long-lived neutral D moiety within a hydrocarbon molecule interprets well the recent experimental findings of the long lifetime of doubly charged energized hydrocarbon molecules prior to the ejection of H +.

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