Transition metal heterocyclic chemistry. XI. Manganese cyclopentadienyldicarbonyl complexes of 1,2,3-selena- and thiadiazoles including structural comparison of free and complexed 1,2,3-benzothiadiazole and 4-phenyl-1,2,3-thiadiazole

Armin J. Mayr, Benjamin Carrasco-Flores, Francisco Cervantes-Lee, Keith H. Pannell, László Párkányi, Krishan RaghuVeer

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

Reactions of substituted 1,2,3-selena- and thia-diazoles with (η5-C5H4R)Mn(CO)2THF, R H, Me, lead to isolable blue complexes in which THF is replaced by the diazole ligand. The X-ray structure of the benzothiadiazole complex is reported and shows the intact diazole bonded via N2 to manganese. Ab initio calculations on 1,2,3-thiadiazole generated a structure and protonation energies that confirm N2 as the site of coordination, and also predict significant structural variations upon coordination. However, the structure of the free benzo-1,2,3-thiadiazole was determined and shows no significant structural change upon coordination. Similarly, the structure of 4-phenyl-1,2,3-thiadiazole was deterined and exhibits the same structural parameters as the W(CO)5 substituted ligand.

Original languageEnglish
Pages (from-to)309-322
Number of pages14
JournalJournal of Organometallic Chemistry
Volume405
Issue number3
DOIs
Publication statusPublished - Mar 19 1991

ASJC Scopus subject areas

  • Biochemistry
  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

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