Infrared spectra of isotopically substituted XCo(CO)4 (X=H, EtC(O), EtOC(O) and EtOC(O)CH2) molecules

György Bor, Giuseppe Fachinetti, Carl Hoff, Gyula Palyi, Claudia Zucchi, Ferenc Ungváry, Rina Tannenbaum

Research output: Contribution to journalArticle

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Abstract

In this paper we present a series of observations on the infrared spectra of DCo(CO)4 (in comparison with HCo(CO)4) as well as of the l3CO-exchanged derivatives of HCo(CO)4, EtOC(O)CH 2Co(CO)4, EtOC(O)Co(CO)4 and EtC(O)Co(CO) 4. Calculated frequencies and intensities for HCo( 12CO)n(13CO)4-n based on the C-O factored force field approximation predict data in excellent agreement with that observed experimentally. Splitting of the E band in the complexes R-Co(CO)4 is shown to depend on reduction of local site symmetry and appears to be greatest for R groups containing a local dipole capable 'of through-space' interaction with the three equatorial carbonyls. The analysis of the infrared absorption bands for the l3CO-substituted compounds sheds light on the nature of bonding and symmetry of these molecules, and the extent of interaction between the organic substituent and the four CO groups in the cobalt tetracarbonyl compound.

Original languageEnglish
Pages (from-to)168-176
Number of pages9
JournalInorganica Chimica Acta
Volume353
DOIs
StatePublished - Sep 8 2003

Fingerprint

Cobalt compounds
Infrared absorption
Carbon Monoxide
Absorption spectra
infrared spectra
cobalt compounds
Infrared radiation
Derivatives
Molecules
symmetry
field theory (physics)
infrared absorption
molecules
interactions
methylidyne
dipoles
absorption spectra
approximation
Cobalt

Keywords

  • Infrared spectra
  • Isotopic exchange studies
  • Metal carbonyls

ASJC Scopus subject areas

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

Cite this

Infrared spectra of isotopically substituted XCo(CO)4 (X=H, EtC(O), EtOC(O) and EtOC(O)CH2) molecules. / Bor, György; Fachinetti, Giuseppe; Hoff, Carl; Palyi, Gyula; Zucchi, Claudia; Ungváry, Ferenc; Tannenbaum, Rina.

In: Inorganica Chimica Acta, Vol. 353, 08.09.2003, p. 168-176.

Research output: Contribution to journalArticle

Bor, György ; Fachinetti, Giuseppe ; Hoff, Carl ; Palyi, Gyula ; Zucchi, Claudia ; Ungváry, Ferenc ; Tannenbaum, Rina. / Infrared spectra of isotopically substituted XCo(CO)4 (X=H, EtC(O), EtOC(O) and EtOC(O)CH2) molecules. In: Inorganica Chimica Acta. 2003 ; Vol. 353. pp. 168-176.
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