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Ferran Feixas - One of the best experts on this subject based on the ideXlab platform.

  • metal cluster electrides a new type of molecular electride with Delocalised polyattractor character
    Chemistry: A European Journal, 2018
    Co-Authors: Ouissam El Bakouri, Veronica Postils, Marc Garciaborras, Simone Calvello, Alessandro Soncini, Eduard Matito, Miquel Duran, Josep M. Luis, Ferran Feixas
    Abstract:

    : Electrides are ionic substances containing isolated Electrons. These confined Electrons are topologically characterised by a quasi-atom, that is, a non-nuclear attractor (NNA) of the Electron density. The Electronic structure of the octahedral 4 A1g Li6+ and 5 A1g Be6 species shows that these species have a large number of NNAs. These NNAs have highly Delocalised Electron densities and, as a result, the chemical bonding pattern of these systems is reminiscent of that in solid metals, in which metal cations are surrounded by a "sea" of Delocalised valence Electrons. We propose the term metal cluster electrides to refer to this new class of compounds. In this study, we establish a computational protocol to identify, characterize, and design metal cluster electrides and we elucidate the intricate bonding patterns of this particular type of species.

  • metal cluster electrides a new type of molecular electride with Delocalised polyattractor character
    Chemistry: A European Journal, 2018
    Co-Authors: Ouissam El Bakouri, Veronica Postils, Marc Garciaborras, Simone Calvello, Alessandro Soncini, Eduard Matito, Miquel Duran, Josep M. Luis, Ferran Feixas
    Abstract:

    : Electrides are ionic substances containing isolated Electrons. These confined Electrons are topologically characterised by a quasi-atom, that is, a non-nuclear attractor (NNA) of the Electron density. The Electronic structure of the octahedral 4 A1g Li6+ and 5 A1g Be6 species shows that these species have a large number of NNAs. These NNAs have highly Delocalised Electron densities and, as a result, the chemical bonding pattern of these systems is reminiscent of that in solid metals, in which metal cations are surrounded by a "sea" of Delocalised valence Electrons. We propose the term metal cluster electrides to refer to this new class of compounds. In this study, we establish a computational protocol to identify, characterize, and design metal cluster electrides and we elucidate the intricate bonding patterns of this particular type of species.

Eduard Matito - One of the best experts on this subject based on the ideXlab platform.

  • metal cluster electrides a new type of molecular electride with Delocalised polyattractor character
    Chemistry: A European Journal, 2018
    Co-Authors: Ouissam El Bakouri, Veronica Postils, Marc Garciaborras, Simone Calvello, Alessandro Soncini, Eduard Matito, Miquel Duran, Josep M. Luis, Ferran Feixas
    Abstract:

    : Electrides are ionic substances containing isolated Electrons. These confined Electrons are topologically characterised by a quasi-atom, that is, a non-nuclear attractor (NNA) of the Electron density. The Electronic structure of the octahedral 4 A1g Li6+ and 5 A1g Be6 species shows that these species have a large number of NNAs. These NNAs have highly Delocalised Electron densities and, as a result, the chemical bonding pattern of these systems is reminiscent of that in solid metals, in which metal cations are surrounded by a "sea" of Delocalised valence Electrons. We propose the term metal cluster electrides to refer to this new class of compounds. In this study, we establish a computational protocol to identify, characterize, and design metal cluster electrides and we elucidate the intricate bonding patterns of this particular type of species.

  • metal cluster electrides a new type of molecular electride with Delocalised polyattractor character
    Chemistry: A European Journal, 2018
    Co-Authors: Ouissam El Bakouri, Veronica Postils, Marc Garciaborras, Simone Calvello, Alessandro Soncini, Eduard Matito, Miquel Duran, Josep M. Luis, Ferran Feixas
    Abstract:

    : Electrides are ionic substances containing isolated Electrons. These confined Electrons are topologically characterised by a quasi-atom, that is, a non-nuclear attractor (NNA) of the Electron density. The Electronic structure of the octahedral 4 A1g Li6+ and 5 A1g Be6 species shows that these species have a large number of NNAs. These NNAs have highly Delocalised Electron densities and, as a result, the chemical bonding pattern of these systems is reminiscent of that in solid metals, in which metal cations are surrounded by a "sea" of Delocalised valence Electrons. We propose the term metal cluster electrides to refer to this new class of compounds. In this study, we establish a computational protocol to identify, characterize, and design metal cluster electrides and we elucidate the intricate bonding patterns of this particular type of species.

Ouissam El Bakouri - One of the best experts on this subject based on the ideXlab platform.

  • metal cluster electrides a new type of molecular electride with Delocalised polyattractor character
    Chemistry: A European Journal, 2018
    Co-Authors: Ouissam El Bakouri, Veronica Postils, Marc Garciaborras, Simone Calvello, Alessandro Soncini, Eduard Matito, Miquel Duran, Josep M. Luis, Ferran Feixas
    Abstract:

    : Electrides are ionic substances containing isolated Electrons. These confined Electrons are topologically characterised by a quasi-atom, that is, a non-nuclear attractor (NNA) of the Electron density. The Electronic structure of the octahedral 4 A1g Li6+ and 5 A1g Be6 species shows that these species have a large number of NNAs. These NNAs have highly Delocalised Electron densities and, as a result, the chemical bonding pattern of these systems is reminiscent of that in solid metals, in which metal cations are surrounded by a "sea" of Delocalised valence Electrons. We propose the term metal cluster electrides to refer to this new class of compounds. In this study, we establish a computational protocol to identify, characterize, and design metal cluster electrides and we elucidate the intricate bonding patterns of this particular type of species.

  • metal cluster electrides a new type of molecular electride with Delocalised polyattractor character
    Chemistry: A European Journal, 2018
    Co-Authors: Ouissam El Bakouri, Veronica Postils, Marc Garciaborras, Simone Calvello, Alessandro Soncini, Eduard Matito, Miquel Duran, Josep M. Luis, Ferran Feixas
    Abstract:

    : Electrides are ionic substances containing isolated Electrons. These confined Electrons are topologically characterised by a quasi-atom, that is, a non-nuclear attractor (NNA) of the Electron density. The Electronic structure of the octahedral 4 A1g Li6+ and 5 A1g Be6 species shows that these species have a large number of NNAs. These NNAs have highly Delocalised Electron densities and, as a result, the chemical bonding pattern of these systems is reminiscent of that in solid metals, in which metal cations are surrounded by a "sea" of Delocalised valence Electrons. We propose the term metal cluster electrides to refer to this new class of compounds. In this study, we establish a computational protocol to identify, characterize, and design metal cluster electrides and we elucidate the intricate bonding patterns of this particular type of species.

Marc Garciaborras - One of the best experts on this subject based on the ideXlab platform.

  • metal cluster electrides a new type of molecular electride with Delocalised polyattractor character
    Chemistry: A European Journal, 2018
    Co-Authors: Ouissam El Bakouri, Veronica Postils, Marc Garciaborras, Simone Calvello, Alessandro Soncini, Eduard Matito, Miquel Duran, Josep M. Luis, Ferran Feixas
    Abstract:

    : Electrides are ionic substances containing isolated Electrons. These confined Electrons are topologically characterised by a quasi-atom, that is, a non-nuclear attractor (NNA) of the Electron density. The Electronic structure of the octahedral 4 A1g Li6+ and 5 A1g Be6 species shows that these species have a large number of NNAs. These NNAs have highly Delocalised Electron densities and, as a result, the chemical bonding pattern of these systems is reminiscent of that in solid metals, in which metal cations are surrounded by a "sea" of Delocalised valence Electrons. We propose the term metal cluster electrides to refer to this new class of compounds. In this study, we establish a computational protocol to identify, characterize, and design metal cluster electrides and we elucidate the intricate bonding patterns of this particular type of species.

  • metal cluster electrides a new type of molecular electride with Delocalised polyattractor character
    Chemistry: A European Journal, 2018
    Co-Authors: Ouissam El Bakouri, Veronica Postils, Marc Garciaborras, Simone Calvello, Alessandro Soncini, Eduard Matito, Miquel Duran, Josep M. Luis, Ferran Feixas
    Abstract:

    : Electrides are ionic substances containing isolated Electrons. These confined Electrons are topologically characterised by a quasi-atom, that is, a non-nuclear attractor (NNA) of the Electron density. The Electronic structure of the octahedral 4 A1g Li6+ and 5 A1g Be6 species shows that these species have a large number of NNAs. These NNAs have highly Delocalised Electron densities and, as a result, the chemical bonding pattern of these systems is reminiscent of that in solid metals, in which metal cations are surrounded by a "sea" of Delocalised valence Electrons. We propose the term metal cluster electrides to refer to this new class of compounds. In this study, we establish a computational protocol to identify, characterize, and design metal cluster electrides and we elucidate the intricate bonding patterns of this particular type of species.

Simone Calvello - One of the best experts on this subject based on the ideXlab platform.

  • metal cluster electrides a new type of molecular electride with Delocalised polyattractor character
    Chemistry: A European Journal, 2018
    Co-Authors: Ouissam El Bakouri, Veronica Postils, Marc Garciaborras, Simone Calvello, Alessandro Soncini, Eduard Matito, Miquel Duran, Josep M. Luis, Ferran Feixas
    Abstract:

    : Electrides are ionic substances containing isolated Electrons. These confined Electrons are topologically characterised by a quasi-atom, that is, a non-nuclear attractor (NNA) of the Electron density. The Electronic structure of the octahedral 4 A1g Li6+ and 5 A1g Be6 species shows that these species have a large number of NNAs. These NNAs have highly Delocalised Electron densities and, as a result, the chemical bonding pattern of these systems is reminiscent of that in solid metals, in which metal cations are surrounded by a "sea" of Delocalised valence Electrons. We propose the term metal cluster electrides to refer to this new class of compounds. In this study, we establish a computational protocol to identify, characterize, and design metal cluster electrides and we elucidate the intricate bonding patterns of this particular type of species.

  • metal cluster electrides a new type of molecular electride with Delocalised polyattractor character
    Chemistry: A European Journal, 2018
    Co-Authors: Ouissam El Bakouri, Veronica Postils, Marc Garciaborras, Simone Calvello, Alessandro Soncini, Eduard Matito, Miquel Duran, Josep M. Luis, Ferran Feixas
    Abstract:

    : Electrides are ionic substances containing isolated Electrons. These confined Electrons are topologically characterised by a quasi-atom, that is, a non-nuclear attractor (NNA) of the Electron density. The Electronic structure of the octahedral 4 A1g Li6+ and 5 A1g Be6 species shows that these species have a large number of NNAs. These NNAs have highly Delocalised Electron densities and, as a result, the chemical bonding pattern of these systems is reminiscent of that in solid metals, in which metal cations are surrounded by a "sea" of Delocalised valence Electrons. We propose the term metal cluster electrides to refer to this new class of compounds. In this study, we establish a computational protocol to identify, characterize, and design metal cluster electrides and we elucidate the intricate bonding patterns of this particular type of species.