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  1. Article ; Online: Molecular Dynamics and Surface Interactions of Nickelocene Adsorbed on Silica: A Paramagnetic Solid-State NMR Study.

    Benzie, Jordon W / Harmon-Welch, Gabrielle E / Hoefler, John C / Bakhmutov, Vladimir I / Blümel, Janet

    Langmuir : the ACS journal of surfaces and colloids

    2022  Volume 38, Issue 24, Page(s) 7422–7432

    Abstract: When grinding nickelocene with silica in the absence of a solvent at room temperature, it adsorbs on the surface within the pores. This has also been demonstrated visually by adsorbing green nickelocene in the pores of a large colorless silica gel ... ...

    Abstract When grinding nickelocene with silica in the absence of a solvent at room temperature, it adsorbs on the surface within the pores. This has also been demonstrated visually by adsorbing green nickelocene in the pores of a large colorless silica gel specimen. While this dry adsorption and translational mobility of nickelocene within the pores is proven visually, the site-to-site mobility of the nickelocene molecules and their orientation toward the surface are not yet understood. In this contribution, mesoporous silica is used as the support material for a systematic solid-state NMR study of these issues. Paramagnetic
    Language English
    Publishing date 2022-06-08
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2005937-1
    ISSN 1520-5827 ; 0743-7463
    ISSN (online) 1520-5827
    ISSN 0743-7463
    DOI 10.1021/acs.langmuir.2c00301
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article: Creating Solid Solutions of Metallocenes: Migration of Nickelocene into the Ferrocene Crystal Lattice in the Absence of a Solvent.

    Harmon-Welch, Gabrielle E / Hoefler, John C / Trujillo, Martha R / Bhuvanesh, Nattamai / Bakhmutov, Vladimir I / Blümel, Janet

    The journal of physical chemistry. C, Nanomaterials and interfaces

    2023  Volume 127, Issue 6, Page(s) 3059–3066

    Abstract: Ferrocene and nickelocene do not react with each other in solution; however, the large impact of the paramagnetic component on the ... ...

    Abstract Ferrocene and nickelocene do not react with each other in solution; however, the large impact of the paramagnetic component on the ferrocene
    Language English
    Publishing date 2023-02-06
    Publishing country United States
    Document type Journal Article
    ISSN 1932-7447
    ISSN 1932-7447
    DOI 10.1021/acs.jpcc.2c07441
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article: Molecular Dynamics and Surface Interactions of Nickelocene Adsorbed on Silica: A Paramagnetic Solid-State NMR Study

    Benzie, Jordon W. / Harmon-Welch, Gabrielle E. / Hoefler, John C. / Bakhmutov, Vladimir I. / Blümel, Janet

    Langmuir. 2022 June 08, v. 38, no. 24

    2022  

    Abstract: When grinding nickelocene with silica in the absence of a solvent at room temperature, it adsorbs on the surface within the pores. This has also been demonstrated visually by adsorbing green nickelocene in the pores of a large colorless silica gel ... ...

    Abstract When grinding nickelocene with silica in the absence of a solvent at room temperature, it adsorbs on the surface within the pores. This has also been demonstrated visually by adsorbing green nickelocene in the pores of a large colorless silica gel specimen. While this dry adsorption and translational mobility of nickelocene within the pores is proven visually, the site-to-site mobility of the nickelocene molecules and their orientation toward the surface are not yet understood. In this contribution, mesoporous silica is used as the support material for a systematic solid-state NMR study of these issues. Paramagnetic ¹H VT solid-state NMR and T₁ relaxation times have been powerful tools for studying the dynamics of nickelocene on the silica surface. Herewith, the mobility of the surface-adsorbed nickelocene molecules in the pores could be quantified on the molecular scale. According to the obtained data, the nickelocene molecules move like a liquid on the surface. Isotropically moving molecules exchange places rapidly with surface-attached molecular states of nickelocene in a sample with submonolayer surface coverage. This finding is corroborated by a macroscopic visualization experiment. The states of the surface-attached horizontally oriented nickelocene molecules that are prevalent at temperatures below 200 K have been quantified. The temperature dependencies of the rate k in coordinates of ln(k) versus 1/T and ln(k/T) versus 1/T form ideal straight lines that allow the determination of the kinetic parameters Eₐcₜ = 5.5 kcal/mol, A = 1.1 × 10¹⁰, ΔH‡ = 5.0 kcal/mol, and ΔS‡ = −15 eu. Investigating a sample with equal amounts of nickelocene and ferrocene in a submonolayer amount of 80% overall surface coverage shows that the different metallocenes mix on the molecular level on the silica surface.
    Keywords adsorption ; ambient temperature ; ferrocenes ; liquids ; molecular dynamics ; porous media ; silica gel ; solvents
    Language English
    Dates of publication 2022-0608
    Size p. 7422-7432.
    Publishing place American Chemical Society
    Document type Article
    ZDB-ID 2005937-1
    ISSN 1520-5827 ; 0743-7463
    ISSN (online) 1520-5827
    ISSN 0743-7463
    DOI 10.1021/acs.langmuir.2c00301
    Database NAL-Catalogue (AGRICOLA)

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    Kategorien

    Order via subito

    This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

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