A comparative vibrational spectroscopic investigation of free mn-12S2O2 and fn-12S2O2 dithiacrown ethers based on DFT calculations

Journal of Molecular Structure

Volumn 787, Issue 1-3, 2006, Pages 191-202

  Balci, K ^a   Koch, A ^b   Kleinpeter, E ^b  

^a ISTANBUL UNIVERSITY   (Turkey)

^b UNIVERSITY OF POTSDAM   (Germany)

Author keywords

Dithiacrown ethers; IR spectra; Theoretical calculations; Vibrational frequency

Indexed keywords

DATA ACQUISITION; HARMONIC ANALYSIS; INFRARED SPECTROSCOPY; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

DITHIACROWN ETHERS; THEORETICAL CALCULATIONS; VIBRATIONAL FREQUENCY;

ETHERS;

EID: 33646127609     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2005.10.048     Document Type: Article

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