A solid-state density functional theory investigation of the effectof metal substitution (Metal = Mn, Cd, Co) on the terahertz spectra of isomorphous molecular metal 5-(4-pyridyl)tetrazolato complexes

Journal of Molecular Structure

Volumn 1048, Issue , 2013, Pages 214-222

  Pellizzeri, Steven ^a   Witko, Ewelina M ^a   Korter, Timothy M ^a   Zubieta, Jon ^a  

^a SYRACUSE UNIVERSITY   (United States)

Author keywords

5 (4 Pyridyl)tetrazole; CRYSTAL09; Single crystal X ray crystallography; Solid state DFT; Terahertz spectroscopy

Indexed keywords

CADMIUM; COBALT; COBALT COMPOUNDS; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; LATTICE VIBRATIONS; MANGANESE; METALS; NITROGEN; SINGLE CRYSTALS; TERAHERTZ SPECTROSCOPY; X RAY CRYSTALLOGRAPHY;

CRYSTAL09; ISOMORPHOUS SERIES; LOWER FREQUENCIES; METAL SUBSTITUTION; SINGLE CRYSTAL X-RAY CRYSTALLOGRAPHY; SOLID STATE DFT; SOLID-STATE DENSITY; TETRAZOLES;

DENSITY FUNCTIONAL THEORY;

EID: 84879203719     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2013.05.055     Document Type: Article

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