Communication

Molecular Structure and Electronic State of the Dibenzo[a,e]pentalene Anion Radical

  1. Prof. Dr. Masaichi Saito1,*,
  2. Yoko Hashimoto1,
  3. Dr. Tomoyuki Tajima1,
  4. Dr. Kazuya Ishimura2,
  5. Prof. Dr. Shigeru Nagase3,
  6. Prof. Dr. Mao Minoura4

Article first published online: 13 JAN 2012

DOI: 10.1002/asia.201100711

Issue

Chemistry – An Asian Journal

Chemistry – An Asian Journal

Volume 7, Issue 3, pages 480–483, March 5, 2012

Additional Information

How to Cite

Saito, M., Hashimoto, Y., Tajima, T., Ishimura, K., Nagase, S. and Minoura, M. (2012), Molecular Structure and Electronic State of the Dibenzo[a,e]pentalene Anion Radical. Chem. Asian J., 7: 480–483. doi: 10.1002/asia.201100711

Author Information

  1. 1

    Department of Chemistry, Graduate School of Science and Engineering, Saitama University, Shimo-okubo, Sakura-ku, Saitama-city, Saitama 338-8570 (Japan), Fax: (+81) 48-858-3700

  2. 2

    Department of Computational Science, Graduate School of System Informatics, Kobe University, Rokkodai-cho, Nada-ku, Kobe 657-8501 (Japan)

  3. 3

    Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki, Aichi, 444-8585 (Japan)

  4. 4

    Department of Chemistry, School of Science, Kitasato University, Kitasato, Sagamihara, Kanagawa, 252-0373 (Japan)

*Department of Chemistry, Graduate School of Science and Engineering, Saitama University, Shimo-okubo, Sakura-ku, Saitama-city, Saitama 338-8570 (Japan), Fax: (+81) 48-858-3700

Publication History

  1. Issue published online: 29 FEB 2012
  2. Article first published online: 13 JAN 2012
  3. Manuscript Received: 23 AUG 2011

Funded by

  • Grant-in-Aid for Scientific Research (B). Grant Number: 22350015
  • Ministry of Education, Culture, Sports, Science, and Technology of Japan

SEARCH

SEARCH BY CITATION

ARTICLE TOOLS

View Full Article with Supporting Information (HTML) Get PDF (311K)

Keywords:

  • annulenes;
  • electronic structure;
  • lithium;
  • radical ions;
  • reduction
Thumbnail image of graphical abstract

Undergoing a radical change! The reduction of dibenzo[a,e]pentalene by KC8 afforded the corresponding anion radical, the structure of which was characterized for the first time by X-ray diffraction analysis. The electronic state of the anion radical is discussed with the aid of theoretical calculations.

Featured Compounds

Compound 1
Molecular Weight:202.2506
Molecular Formula:C16H10
InChIKey:OZEPXROCWSMGGM-UHFFFAOYSA-N
View compound in article | Full details | Search this compound
Compound 2
Molecular Weight:528.814
Molecular Formula:C34H50Li2Si2
InChIKey:DYYSDKNSTGPEKF-UHFFFAOYSA-N
View compound in article | Full details | Search this compound
Compound 3
Molecular Weight:514.9318
Molecular Formula:C34H50Si2
InChIKey:HCCVFKGNKOGXNY-UHFFFAOYSA-N
View compound in article | Full details | Search this compound
Compound 4
Molecular Weight:554.0301
Molecular Formula:C34H50KSi2
InChIKey:HCWMLRBLFNMHSL-UHFFFAOYSA-N
View compound in article | Full details | Search this compound
Compound 5
Molecular Weight:301.5517
Molecular Formula:C16H14KSi2
InChIKey:MNPISQZNKTVRGS-UHFFFAOYSA-N
View compound in article | Full details | Search this compound
View Full Article with Supporting Information (HTML) Get PDF (311K)