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Electronic Structure of Element-Block Material As4S6 with Cage Shape Toward “Soft Electride”

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New Polymeric Materials Based on Element-Blocks

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Abstract

Electrides are the materials having functions which can draw and release electrons rather freely in general. In this chapter we like to describe theoretical examination on As4S6 molecule with cage shape as an element block. It has been found that this molecule can stably accommodate an excessive electron. This fact may open a novel electride material in which As4S6 molecules are incorporated into polymer skeleton as element blocks.

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Acknowledgments

One of the authors (KT) is grateful to fruitful discussions with Professor Roald Hoffmann for electrides. This work was supported by a Grant-in-Aid for Scientific Research on Innovative Areas “New Polymeric Materials Based on Element-Blocks (No. 2401)” (JSPS KAKENHI Grant Number JP24102014).

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Authors and Affiliations

  1. Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto, Japan

    Kazuyoshi Tanaka

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

    Hiroyuki Fueno

Authors
  1. Kazuyoshi Tanaka
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  2. Hiroyuki Fueno
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Corresponding author

Correspondence to Kazuyoshi Tanaka .

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Editors and Affiliations

  1. Department of Polymer Chemistry, Kyoto University, Kyoto, Japan

    Yoshiki Chujo

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Tanaka, K., Fueno, H. (2019). Electronic Structure of Element-Block Material As4S6 with Cage Shape Toward “Soft Electride”. In: Chujo, Y. (eds) New Polymeric Materials Based on Element-Blocks. Springer, Singapore. https://doi.org/10.1007/978-981-13-2889-3_11

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