DOI: 10.1002/anie.201005258. Generation, Reactivity Towards Hydrocarbons, and Electronic Structure of Heteronuclear Vanadium Phosphorous Oxygen Cluster Ions

Generation, Reactivity Towards Hydrocarbons, and Electronic Structure of Heteronuclear Vanadium Phosphorous Oxygen Cluster Ions

10.1002/anie.201005258

Crossref journal-article

Wiley

Angewandte Chemie International Edition (311)

Bibliography

Dietl, N., HÃ¶ckendorf, R. F., Schlangen, M., Lerch, M., Beyer, M. K., & Schwarz, H. (2011). Generation, Reactivity Towards Hydrocarbons, and Electronic Structure of Heteronuclear Vanadium Phosphorous Oxygen Cluster Ions. Angewandte Chemie International Edition, 50(6), 1430â1434. Portico.

Authors 6

Nicolas Dietl (first)
Robert F. Höckendorf (additional)
Maria Schlangen (additional)
Martin Lerch (additional)
Martin K. Beyer (additional)
Helmut Schwarz (additional)

References 105 Referenced 74

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10.1002/ange.19951071805
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{'key': 'e_1_2_4_20_2', 'first-page': '44', 'author': 'Böhme D. K.', 'year': '2005', 'journal-title': 'Angew. Chem.'} / Angew. Chem. by Böhme D. K. (2005)
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K.‐P. Dinse H.‐J. Freund M. Geske R. Horn O. Korup K. Kwapien S. Mavlyankariev N. Nilius T. Risse J. Sauer R. Schlögl U. Zavyalova 2nd Meeting of UniCat′s Scientific Advisory Board Fritz‐Haber‐Institut Berlin May 27–282010 Poster A1–3;
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The targets used in the experiments allow the generation of [V3PO10].+ [V2P2O10].+ and [V4O10].+while gaseous [VP3O10].+and [P4O10].+ both requiring remarkably higher ionization energies (IEs) are not accessible by this method (IEs derived from DFT calculations: P4O10: 1179 kJ mol−1 VP3O10: 1127 kJ mol−1 V2P2O10: 1081 kJ mol−1 V3PO10: 1041 kJ mol−1 V4O10: 1082 kJ mol−1).
The respective values for [V4O10].+and [P4O10].+ taken from the References [14] and [17] arek([V4O10].+)=5.5×10−–10 cm3 s−1andk([P4O10].+)=6.4×10−–10 cm3 s−1; KIE([V4O10].+)=1.3 and KIE([P4O10].+)=1.6.
Owing to the rather small or even non‐existing barriers structure optimization were in the case of [V2P2O10].+and [VP3O10].+only possible by fixing the terminal VO bond to 1.75 Å as reported for the structure of [V4O10].+. The resulting relative energies for isomers with V‐O.units are 92 kJ mol−1for [V2P2O10].+and 71 kJ mol−1for [VP3O10].+ respectively.
10.1002/chem.200902373
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After submission of our work for publications we learned about very recent related studies see:
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M. J. Frisch et al. Gaussian03 revision C.02. Gaussian Inc. Wallingford2004.

Dates

Type	When
Created	14 years, 8 months ago (Jan. 5, 2011, 9:33 a.m.)
Deposited	1 year, 10 months ago (Oct. 16, 2023, 4:44 a.m.)
Indexed	2 weeks, 3 days ago (Aug. 19, 2025, 6:43 a.m.)
Issued	14 years, 8 months ago (Jan. 5, 2011)
Published	14 years, 8 months ago (Jan. 5, 2011)
Published Online	14 years, 8 months ago (Jan. 5, 2011)
Published Print	14 years, 6 months ago (Feb. 7, 2011)

Funders 0

None

BibTeX

@article{Dietl_2011, title={Generation, Reactivity Towards Hydrocarbons, and Electronic Structure of Heteronuclear Vanadium Phosphorous Oxygen Cluster Ions}, volume={50}, ISSN={1521-3773}, url={http://dx.doi.org/10.1002/anie.201005258}, DOI={10.1002/anie.201005258}, number={6}, journal={Angewandte Chemie International Edition}, publisher={Wiley}, author={Dietl, Nicolas and Höckendorf, Robert F. and Schlangen, Maria and Lerch, Martin and Beyer, Martin K. and Schwarz, Helmut}, year={2011}, month=jan, pages={1430–1434} }

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