DOI: 10.1021/ic8000448. Octahedral Tilting in MM′X<sub>4</sub> Metal-Oxide Organic Layer Structures

Octahedral Tilting in MM′X4 Metal-Oxide Organic Layer Structures

10.1021/ic8000448

Crossref journal-article

American Chemical Society (ACS)

Inorganic Chemistry (316)

Bibliography

Vougo-Zanda, M., Anokhina, E. V., Duhovic, S., Liu, L., Wang, X., Oloba, O. A., Albright, T. A., & Jacobson, A. J. (2008). Octahedral Tilting in MMâ²X4 Metal-Oxide Organic Layer Structures. Inorganic Chemistry, 47(11), 4746â4751.

Authors 8

Marie Vougo-Zanda (first)
Ekaterina V. Anokhina (additional)
Selma Duhovic (additional)
Lumei Liu (additional)
Xiqu Wang (additional)
Oluwakemi A. Oloba (additional)
Thomas A. Albright (additional)
Allan J. Jacobson (additional)

References 42 Referenced 15

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There are two complications when V2O3(OH)4Bz−2is used where the oxidation state for vanadium is 4+. Firstly, the computational details will be sensitive to the spin state (singlet versus triplet). Secondly, several of the occupied MOs have positive eigenvalues even when using diffuse functions on oxygen and vanadium. This is not the case for V2O3(OH)4Bz−.
Single point calculations on V2O3(OH)4Bz−2using the structures for6and7resulted in an energy difference of 4.9 kcal/mol.

Dates

Type	When
Created	17 years, 3 months ago (April 29, 2008, 2 a.m.)
Deposited	2 years, 5 months ago (March 5, 2023, 3:21 p.m.)
Indexed	17 hours, 47 minutes ago (Aug. 28, 2025, 8:07 a.m.)
Issued	17 years, 4 months ago (April 29, 2008)
Published	17 years, 4 months ago (April 29, 2008)
Published Online	17 years, 4 months ago (April 29, 2008)
Published Print	17 years, 2 months ago (June 2, 2008)

Funders 0

None

BibTeX

@article{Vougo_Zanda_2008, title={Octahedral Tilting in MM′X4 Metal-Oxide Organic Layer Structures}, volume={47}, ISSN={1520-510X}, url={http://dx.doi.org/10.1021/ic8000448}, DOI={10.1021/ic8000448}, number={11}, journal={Inorganic Chemistry}, publisher={American Chemical Society (ACS)}, author={Vougo-Zanda, Marie and Anokhina, Ekaterina V. and Duhovic, Selma and Liu, Lumei and Wang, Xiqu and Oloba, Oluwakemi A. and Albright, Thomas A. and Jacobson, Allan J.}, year={2008}, month=apr, pages={4746–4751} }

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  "container-title-short": "Inorg. Chem.",
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    "date-parts": [
      [
        2008,
        4,
        29
      ]
    ]
  }
}