Atoms‐in‐Molecules Analysis of Extended Hypervalent Five‐Center, Six‐Electron (5c–6e) C2Z2O Interactions at the 1,8,9‐Positions of Anthraquinone and 9‐Methoxyanthracene Systems
Abstract
To clarify the nature of five-center, six-electron (5c-6e) C 2 Z 2 O interactions, atoms-in-molecules (AIM) analysis has been applied to an anthraquinone, 1,8-(MeZ) 2 ATQ (1 (Z=Se), 2 (Z=S), and 3 (Z=O)), and a 9-methoxyanthracene system, 9-MeO-1,8-(MeZ) 2 ATC (4 (Z=Se), 5 (Z=S), and 6 (Z=O)), as well as 1-(MeZ)ATQ (7 (Z=Se), 8 (Z=S), and 9 (Z=O)) and 9-MeO-1-(MeZ)ATC (10 (Z=Se), 11 (Z=S), and 12 (Z=O)). The total electronic energy density (H b...
Paper Details
Title
Atoms‐in‐Molecules Analysis of Extended Hypervalent Five‐Center, Six‐Electron (5c–6e) C2Z2O Interactions at the 1,8,9‐Positions of Anthraquinone and 9‐Methoxyanthracene Systems
Published Date
Jan 1, 2007
Volume
13
Issue
1
Pages
255 - 268
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