Skip to main content
Disciplines
Automotive Business IT + Informatics Construction + Real Estate Electrical Engineering + Electronics Energy + Sustainability Insurance + Risk Finance + Banking Management + Leadership Marketing + Sales Mechanical Engineering + Materials
Events
DE
EN
Books
Journals
Topic Page
Marketing
Start single access now
Access for companies
EXTENDED SEARCH
Log in
Top
Published in:
Introduction and Background Information Read chapter Read first chapter

2014 | OriginalPaper | Chapter

4. Fast Dissociations of Halogenated Methanes: A Thermochemical Network

Author : Jonelle Harvey

Published in: Modelling the Dissociation Dynamics and Threshold Photoelectron Spectra of Small Halogenated Molecules

Publisher: Springer International Publishing

Log in

Activate our intelligent search to find suitable subject content or patents.

search-config
loading …

Abstract

The work presented in this chapter has been published as a journal article entitled ‘A Halomethane Thermochemical Network from iPEPICO Experiments and Quantum Chemical Calculations’ in 2012 by J. Harvey, R. P. Tuckett and A. Bodi, in the Journal of Physical Chemistry A, volume 116, issue 39, pages 9696-9705. The majority of the data collection and analysis was performed by the author, however, the assistance lent by Ms Nicola Rogers, Drs Mathew Simpson Andras Bodi, Melanie Johnson and Professor Richard Tuckett during beamtime with the collection of the data is gratefully acknowledged. The modelling program was developed by Sztáray [1]. The threshold photoelectron spectra can be found in Appendix C.

Dont have a licence yet? Then find out more about our products and how to get one now:

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

  • über 102.000 Bücher
  • über 537 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Maschinenbau + Werkstoffe
  • Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

inform now

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 390 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Maschinenbau + Werkstoffe




 

Jetzt Wissensvorsprung sichern!

inform now

Springer Professional "Wirtschaft"

Online-Abonnement

Mit Springer Professional "Wirtschaft" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 340 Zeitschriften

aus folgenden Fachgebieten:

  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Versicherung + Risiko




Jetzt Wissensvorsprung sichern!

inform now
previous chapter Theory
next chapter Photodissociation Dynamics of Four Fluorinated Ethenes: Fast, Slow, Statistical and Non-statistical Reactions
Literature
1.
Sztáray, B., Bodi, A., & Baer, T. (2010). Journal of Mass Spectrometry, 45, 1233–1245.CrossRef
2.
Gaussian 09. (2009). Revision A.1, Gaussian, Inc.: Wallingford CT.
3.
Baboul, A. G., Curtiss, L. A., Redfern, P. C., & Raghavachari, K. J. (1999). Journal of Chemical Physics, 110, 7650–7657.CrossRef
4.
Martin, J. M. L., & de Oliveira, G. (1999). Journal of Chemical Physics, 111, 1843–1856.CrossRef
5.
Csontos, J., Rolik, Z., Das, S., & Kállay, M. (2010). Journal of Physical Chemistry A, 114, 13093.CrossRef
6.
Peterson, K. A., Feller, D., & Dixon, D. A. (2012). Theoretical Chemistry Accounts, 131, 1079–1099.CrossRef
7.
Karton, A., Daon, S., & Martin, J. M. L. (2011). Chemical Physics Letters, 510, 165–178.CrossRef
8.
Feller, D., Peterson, K. A., & Dixon, D. A. (2011). Journal of Physical Chemistry A, 115, 1440–1451.CrossRef
9.
Feller, D., Peterson, K. A., & Grant Hill, J. (2011). Journal of Chemical Physics, 135, 044102–044120.CrossRef
10.
Bodi, A., Shuman, N. S., & Baer, T. (2009). Physical Chemistry Chemical Physics: PCCP, 11, 11013–11021.CrossRef
11.
Bodi, A., Kvaran, Á., & Sztáray, B. (2011). Journal of Physical Chemistry A, 115, 13443–13451.CrossRef
12.
Borkar, S., & Sztáray, B. (2010). Journal of Physical Chemistry A, 114, 6117–6123.CrossRef
13.
Boese, A. D., Oren, M., Atasoylu, O., Martin, J. M. L., Kállay, M., & Gauss, J. (2004). Journal of Chemical Physics, 120, 4129–4142.CrossRef
14.
Tajti, A., Szalay, P. G., Császár, A. G., Kállay, M., Gauss, J., Valeev, E. F., et al. (2004). Journal of Chemical Physics, 121, 11599–11613.CrossRef
15.
Baer, T., Sztáray, B., Kercher, J. P., Lago, A. F., Bodi, A., Skull, C., et al. (2005). Physical Chemistry Chemical Physics: PCCP, 7, 1507–1513.CrossRef
16.
Kercher, J. P., Stevens, W., Gengeliczki, Z., & Baer, T. (2007). International Journal of Mass Spectrometry, 267, 159–166.CrossRef
17.
Baer, T., Walker, S. H., Shuman, N. S., & Bodi, A. (2012). Journal of Physical Chemistry A, 116, 2833–2844.CrossRef
18.
Lazarou, Y. G., Papadimitriou, V. C., Prosmitis, A. V., & Papagiannakopoulos, P. (2002). Journal of Physical Chemistry A, 106, 11502–11517.CrossRef
19.
Simpson, M., & Tuckett, R. P. (2012). Journal of Physical Chemistry A, 116, 8119–8129.CrossRef
20.
21.
Bodi, A., Kercher, J. P., Bond, C., Meteesatien, P., Sztáray, B., & Baer, T. (2006). Journal of Physical Chemistry A, 110, 13425–13433.CrossRef
22.
Howle, C. R., Collins, D. J., Tuckett, R. P., & Malins, A. E. R. (2005). Physical Chemistry Chemical Physics: PCCP, 7, 2287–2297.CrossRef
23.
Smith, D. M., Tuckett, R. P., Yoxall, K. R., Codling, K., & Hatherly, P. A. (1993). Chemical Physics, 216, 493–502.
24.
Simm, I. G., Danby, C. J., Eland, J. H. D., & Mansell, P. I. (1976). Journal of Chemical Society, Faraday Transactions 2, 72, 426–434.
25.
Parkes, M. A., Chim, R. Y. L., Mayhew, C. A., Mikhailov, V. A., & Tuckett, R. P. (2006). Molecular Physics, 104, 263–272.CrossRef
26.
Lago, A. F., Kercher, J. P., Bodi, A., Sztáray, B., Miller, B., Wurzelmann, D., et al. (2005). Journal of Physical Chemistry A, 109, 1802–1809.CrossRef
27.
Weitzel, K.-M., Malow, M., Jarvis, G. K., Baer, T., Song, Y., & Ng, C. Y. (1999). Journal of Chemical Physics, 111, 8267–8270.CrossRef
28.
Song, Y., Qian, X.-M., Lau, K.-C., Ng, C. Y., Liu, J., & Chen, W. (2001). Journal of Chemical Physics, 115, 4095–4104.CrossRef
29.
Shuman, N., Zhao, L. Y., Boles, M., Baer, T., & Sztáray, B. (2008). Journal of Physical Chemistry A, 112, 10533–10538.CrossRef
30.
Tang, X., Zhou, X., Wu, M., Liu, S., Liu, F., Shan, X., et al. (2012). Journal of Chemical Physics, 136, 034304–034312.CrossRef
31.
Lane, I. C., & Powis, I. (1993). Journal of Physical Chemistry, 97, 5803–5808.CrossRef
32.
Werner, A. S., Tsai, B. P., & Baer, T. (1974). Journal of Chemical Physics, 60, 3650–3657.CrossRef
33.
Von Niessen, W., Åsbrink, L., & Bieri, G. (1982). Journal of Electron Spectroscopy Related Phenomena, 26, 173–201.CrossRef
34.
Schuman, N., Zhao, L. Y., Boles, M., Baer, T., & Sztáray, B. (2008). Journal of Physical Chemistry A, 112, 10533–10538.CrossRef
35.
Innocenti, F., Eypper, M., Lee, E. P. F., Stranges, S., Mok, D. K. W., Chau, F.-T., et al. (2008). Chemistry--A European Journal, 14, 11452–11460.CrossRef
36.
Seccombe, D. P., Chim, R. Y. L., Jarvis, G. K., & Tuckett, R. P. (2000). Physical Chemistry Chemical Physics: PCCP, 2, 769–780.CrossRef
37.
Weitzel, K.-M., Jarvis, G. K., Malow, M., Baer, T., Song, Y., & Ng, C. Y. (2001). Physical Review Letters, 86, 3526–3529.CrossRef
38.
Weitzel, K.-M., Güthe, F., Mähnert, J., Locht, R., & Baumgärtel, H. (1995). Chemical Physics, 201, 287–298.CrossRef
39.
Forysinski, P. W., Zielke, P., Luckhaus, D., & Signorell, R. (2010). Physical Chemistry Chemical Physics: PCCP, 12, 3121–3130.CrossRef
40.
Seccombe, D. P., Tuckett, R. P., & Fisher, B. O. (2001). Journal of Chemical Physics, 114, 4074–4088.CrossRef
41.
Cvitaš, T., Klasinc, L., & Novak, I. (1980). International Journal of Quantum Chemistry, 18, 305–313.CrossRef
42.
Douct, J., Gilbert, R., Sauvageau, P., & Sandorfy, C. (1975). Journal of Chemical Physics, 62, 366–369.CrossRef
43.
Lias, S. G., Bartmess, J. E., Liebman, J. F., Holmes, J. L., Levin, R. D., & Mallard, W. G. (2011). Ion Energetics Data. In P. J. Linstrom & W. G. Mallard (Eds.), NIST Chemistry WebBook, NIST Standard Reference Database Number 69; (p. 20899). Gaithersburg, MD: National Institute of Standards and Technology.
44.
Chase, M. W. (1988). Journal of Physical Chemistry Reference Data., Monograph 9.
45.
Lias, S. G., Bartmess, J. E., Liebman, J. F., Holmes, J. L., Levin, R. D., & Mallard, W. G. (1988). Journal of Physical Chemistry Reference Data., 17.
46.
Manion, J. A. (2002). Journal of Physical Chemistry Reference Data, 31, 124–165.CrossRef
47.
Hudgens, J. W., Johnson, R. D. I., Timonen, R. S., Seetula, J. A., & Gutman, D. (1991). Journal of Physical Chemistry, 95, 4400–4405.CrossRef
48.
Burcat, A., & Ruscic, B. (September 2005). Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion with Updates from Active Thermochemical Tables, ANL-05/20 and TAE 960, Technion-IIT; Aerospace Engineering, and Argonne National Laboratory, Chemistry Division. Retrieved September 2011, from ftp://​technion.​ac.​il/​pub/​supported/​aetdd/​thermodynamics.
49.
Wheeler, S. E., Houk, V., Schleyer, P. V. R., & Allen, W. D. (2009). Journal of the American Chemical Society, 131, 2547–2560.CrossRef
50.
Wodrich, M. D., Corminboeuf, C., & Wheeler, S. E. (2012). Journal of Physical Chemistry A, 116, 3436–3447.CrossRef
51.
Raghavachari, K., Stefanov, B. B., & Curtiss, L. A. (1997). Journal of Chemical Physics, 106, 6764–6767.CrossRef
52.
Feller, D., Peterson, K. A., & Dixon, D. A. (2008). Journal of Chemical Physics, 129, 204105–204136.CrossRef
53.
Ruscic, B. (2012). Active Thermochemical Tables, early beta 1.110.
54.
Lasdon, L. S., & Waren, A. D. (1986). Generalized Reduced Gradient -2 User’s guide (as implemented in the Excell program); School of Business Administration, University of Texas at Austin.
55.
Rodriquez, C. F., Bohme, D. K., & Hopkinson, A. C. (1996). Journal of Physical Chemistry, 100, 2942–2949.CrossRef
56.
Robles, E. S. J., & Chen, P. (1994). Journal of Physical Chemistry, 98, 6919–6923.CrossRef
57.
Luo, Y. R., & Benson, S. W. (1997). Journal of Physical Chemistry A, 101, 3042–3044.CrossRef
58.
Berry, R. J., Burgess, D. R. F., Nyden, M. R., & Zachariah, M. R. (1995). Journal of Physical Chemistry A, 99, 17145–17150.CrossRef
59.
Feller, D., Peterson, K. A., Jong, W. A. D., & Dixon, D. A. (2003). Journal of Chemical Physics, 118, 3510–3522.CrossRef
60.
Kormos, B. L., Liebman, J. F., & Cramer, C. J. (2004). Journal of Physical Organic Chemistry, 17, 656–664.CrossRef
61.
Zhou, W., Seccombe, D. P., Tuckett, R. P., & Thomas, M. K. (2002). Chemical Physics, 283, 419–431.CrossRef
62.
Traeger, J. C., & McLoughlin, R. G. (1981). Journal of American Chemical Society, 103, 3647–3652.CrossRef
63.
Dixon, D. A., Grant, D. J., Christe, K. O., & Peterson, K. A. (2008). Inorganic Chemistry, 47, 5485–5494.CrossRef
64.
Grant, D. J., Garner, E. B., Matus, M. H., Nguyen, M. T., Peterson, K. A., Francisco, J. S., et al. (2010). Physical Chemistry A, 114, 4254–4265.CrossRef
65.
Borkar, S. N., Sztáray, B., & Bodi, A. (2012). International Journal Mass Spectrometry.
66.
Rodgers, A. S., Chao, J., Wilhoit, R. C., & Zwolinski, B. J. (1974). Journal of Physical Chemistry Reference Data, 3, 117–140.CrossRef
Metadata
Title
Fast Dissociations of Halogenated Methanes: A Thermochemical Network
Author
Jonelle Harvey
Copyright Year
2014
Book
Modelling the Dissociation Dynamics and Threshold Photoelectron Spectra of Small Halogenated Molecules

Print ISBN: 978-3-319-02975-7

Electronic ISBN: 978-3-319-02976-4

Copyright Year: 2014

DOI
https://doi.org/10.1007/978-3-319-02976-4_4

Premium Partners

    Image Credits