Adamantane template effect on the self-assembly of a molecular tetrahedron: A theoretical analysis

研究成果: Article査読

2 被引用数 (Scopus)

抄録

Using the available crystallographic data in combination with DFT calculations we investigate the template effect of adamantane on the self-assembly of a tetrahedron-like complex made of four star-shaped building blocks. The QTAIM analysis reveals the presence of bond paths associated to stabilizing CH−π and H−H interactions. The terminal hydrogen atoms of adamantane do stabilize the electric dipole moments of the intermediate complexes which are likely to be formed along the self-assembly pathway that leads to the formation of the molecular tetrahedron.

本文言語English
ページ(範囲)149-152
ページ数4
ジャーナルChemical Physics Letters
713
DOI
出版ステータスPublished - 2018 12

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

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