Skip to main content
SpringerLink
Log in

Active Center Induced by Vibronic Interactions in V2O5/SiO2

  • Original Paper
  • Published:
Topics in Catalysis Aims and scope Submit manuscript

Abstract

The vibronic interactions in a photocatalyst, isolated vanadium oxide on silica, is investigated theoretically employing a vibronic model. The T 1 state gives rise to a Jahn-Teller distortion after the excitation. The HOMO is destabilized against the JT distortion, while the system is stabilized because of the JT effect.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5

Similar content being viewed by others

References

  1. Yoshida S, Magatani Y, Noda S, Funabiki T (1981) Chem Commun 601

  2. Yoshida S, Tanaka T, Okada M, Funabiki T (1984) J Chem Soc Faraday Trans 80:119

    Article  CAS  Google Scholar 

  3. Tanaka T, Ooe M, Funabiki T, Yoshida S (1986) J Chem Soc Faraday Trans 82:35

    Article  CAS  Google Scholar 

  4. Amano F, Tanaka T, Funabiki T (2004) Langmuir 20:4236

    Article  CAS  Google Scholar 

  5. Yoshida S, Tanaka T, Hanada T, Hiraiwa T, Kanai H, Funabiki T (1992) Catal Lett 12:277

    Article  CAS  Google Scholar 

  6. Teramura K, Hosokawa T, Ohuchi T, Shishido T, Tanaka T (2008) Chem Phys Lett 460:478 (and the references therein)

    Article  CAS  Google Scholar 

  7. Gritscov AM, Shvets VA, Kazansky VB (1975) Chem Phys Lett 35:511

    Article  Google Scholar 

  8. Kobayashi H, Yamaguchi M, Tanaka T, Yoshida S (1985) J Chem Soc Faraday Trans 81:1513

    Article  CAS  Google Scholar 

  9. Tran K, Hanning-Lee MA, Biswas A, Stiegman AE, Scott GW (1995) J Am Chem Soc 117:2618

    Article  CAS  Google Scholar 

  10. Bersuker IB (1984) The Jahn-Teller effect and vibronic interactions in modern chemistry. Plenum, New York

    Google Scholar 

  11. Bersuker IB, Polinger VZ (1989) Vibronic interaction in molecules and crystals. Springer, Berlin

    Google Scholar 

  12. Bersuker IB (2006) The Jahn-Teller effect. Cambridge University Press, Cambridge

    Google Scholar 

  13. Gaussian 03, Revision C.02, Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Adamo C, Jaramillo J, Gomperts R, Stratmann E, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, KomaromiI, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, and Pople JA (2004) Gaussian Inc., Wallingford, CT

  14. Anpo M, Tanahashi I, Kubokawa Y (1980) J Phys Chem 84:3440

    Article  CAS  Google Scholar 

  15. Iwamoto M, Furukawa H, Matsukami K, Takenaka T, Kagawa T (1983) J Am Chem Soc 105:3719

    Article  CAS  Google Scholar 

Download references

Acknowledgments

Numerical calculation was partly performed in the Supercomputer Laboratory of Kyoto University and Research Center for Computational Science, Okazaki, Japan. This work was partially supported by Grant-in-Aid for Scientific Research on Priority Areas, “Molecular theory for real system” (20038028) from the Ministry of Education, Culture, Sports, Science and Technology (MEXT).

Author information

Author notes

  1. Ken Tokunaga

    Present address: Research and Development Center for Higher Education, Kyushu University, Fukuoka, 810-8560, Japan

Authors and Affiliations

  1. Fukui Institute for Fundamental Chemistry, Kyoto University, Takano-Nishihiraki-cho 34-4, Sakyo-ku, Kyoto, 606-8103, Japan

    Tohru Sato

  2. Department of Molecular Engineering, Graduate School of Engineering, Kyoto University, Kyoto, 615-8510, Japan

    Tohru Sato, Naoya Iwahara, Ken Tokunaga, Kazuyoshi Tanaka & Tsunehiro Tanaka

  3. Core Research for Evolutional Science and Technology, Japan Science and Technology Agency (JST-CREST), Kawaguchi, Japan

    Kazuyoshi Tanaka

Authors
  1. Tohru Sato
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Naoya Iwahara
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Ken Tokunaga
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Kazuyoshi Tanaka
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. Tsunehiro Tanaka
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Tohru Sato.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Sato, T., Iwahara, N., Tokunaga, K. et al. Active Center Induced by Vibronic Interactions in V2O5/SiO2 . Top Catal 52, 808–812 (2009). https://doi.org/10.1007/s11244-009-9235-z

Download citation

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s11244-009-9235-z

Keywords

Search

Navigation