Structure characterization of molecular complexes for non-linear optical materials. II. 1:1 complexes of 4-methyl-morpholine-N-oxide (1) and 3-picoline-N-oxide (2) with 2,4,6-trinitrophenol, studied by X-ray, AM1 and DFT calculations

Zeitschrift fur Kristallographie

Volumn 222, Issue 8, 2007, Pages 427-431

  Zukerman Schpector, Julio ^a   Vega Teijido, Mauricio ^a   Carvalho, Cristina C ^a,b   Isolani, Paulo C ^b   Caracelli, Ignez ^c  

^a FEDERAL UNIVERSITY OF SÃO CARLOS   (Brazil)

^b UNIVERSITY OF SÃO PAULO   (Brazil)

^c SÃO PAULO STATE UNIVERSITY UNESP   (Brazil)

Author keywords

(Hyper)polarizability; Hydrogen bond; Picrate; Semiempirical AM1; Single crystal structure analysis; Supramolecular synthesis; X ray diffraction

Indexed keywords

EID: 34547587710     PISSN: 00442968     EISSN: None     Source Type: Journal    
DOI: 10.1524/zkri.2007.222.8.427     Document Type: Article

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