Calculated and experimental geometries and infrared spectra of metal tris-acetylacetonates: Vibrational spectroscopy as a probe of molecular structure for ionic complexes. Part II

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 59, Issue 2, 2003, Pages 363-377

  Diaz Acosta, Irina ^a   Baker, Jon ^a   Hinton, James F ^a   Pulay, Peter ^a  

^a UNIVERSITY OF ARKANSAS   (United States)

Author keywords

Density functional theory; Jahn Teller distortion; Metal tris acetylacetonates; Scaled quantum mechanical force field; Vibrational spectra

Indexed keywords

BAND STRUCTURE; COMPLEXATION; GROUND STATE; INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; POLARIZATION; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

IONIC COMPLEXES;

ORGANOMETALLICS;

ACETYLACETONE; ALKANONE; ION; METAL;

ARTICLE; CHEMISTRY; INFRARED SPECTROPHOTOMETRY; METHODOLOGY;

IONS; METALS; PENTANONES; SPECTROPHOTOMETRY, INFRARED;

EID: 0037082281     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1386-1425(02)00166-X     Document Type: Article

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