Real-Space Indicators for Chemical Bonding. Experimental and Theoretical Electron Density Studies of Four Deltahedral Boranes

Mebs, Stefan; Kalinowski, Roman; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Justus, Eugen; Morgenroth, Wolfgang; Paulmann, Carsten; Luger, Peter; Gabel, Detlef; Lentz, Dieter;
  • Publisher: Figshare
  • Related identifiers: doi: 10.1021/ic1013158.s004, doi: 10.1021/ic1013158.s005, doi: 10.1021/ic1013158.s002, doi: 10.1021/ic1013158.s003
  • Subject: delocalization index | AIM | disynaptic valence basin | 12H | 10H | Theoretical Electron Density Studies | bond | bcp | electron localizability indicator | Biochemistry | Pharmacology | 2 e 2c | 2 e 3c | Biophysics | ED
    • FOR: 59999 Environmental Sciences not elsewhere classified | 29999 Physical Sciences not elsewhere classified | 69999 Biological Sciences not elsewhere classified | 39999 Chemical Sciences not elsewhere classified

In an approach combining high-resolution X-ray diffraction at low temperatures with density functional theory calculations, two <i>closo</i>-borates, B<sub>12</sub>H<sub>12</sub><sup>2−</sup> (<b>1</b>) and B<sub>10</sub>H<sub>10</sub><sup>2−</sup> (<b>2</b>), and two <... View more
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