Jump to main content
Jump to site search


Intermolecular C―H…O and n→π* and Short Intramolecular σ→π* Interactions in Molybdenum(0) Tetracarbonyl Complex of a very Twisted 14-membered Tetraazaannulene Macrocyclic Ligand: Structural and Computational Studies

Abstract

The structural and computational studies of a new molybdenum tetracarbonyl complex of 5,14-dihydro-6,17-dimethyl-8,15-diphenyldibenzo[b,i]-[1,4,8,11]tetraazacyclotetradecine, a 14-membered tetraazaannulene macrocyclic ligand, Me2Ph2H2TAA, were investigated by X-ray crystallography, density functional, and natural bond orbital (NBO) theories. The complex showed an interesting intermolecular C―H…O hydrogen bond which was supported by n→π* interaction, forming a one-dimensional extended chain along the b-axis. An interesting intramolecular C―H…π and a very short σ→π* (C―H…CO) interactions stabilized the twisted geometry of the coordinated ligand.

Back to tab navigation

Supplementary files

Publication details

The article was received on 28 Jun 2019, accepted on 09 Aug 2019 and first published on 09 Aug 2019


Article type: Communication
DOI: 10.1039/C9CE01005J
CrystEngComm, 2019, Accepted Manuscript

  •   Request permissions

    Intermolecular C―H…O and n→π* and Short Intramolecular σ→π* Interactions in Molybdenum(0) Tetracarbonyl Complex of a very Twisted 14-membered Tetraazaannulene Macrocyclic Ligand: Structural and Computational Studies

    R. Kia, M. Hosseini, A. Abdolrahimi and M. Mahmoudi, CrystEngComm, 2019, Accepted Manuscript , DOI: 10.1039/C9CE01005J

Search articles by author

Spotlight

Advertisements