Molecular structure and vibrational spectra of Bis(melaminium) terephthalate dihydrate: A DFT computational study

2013 ◽  
Vol 105 ◽  
pp. 156-164 ◽  
Author(s):  
Hasan Tanak ◽  
Mariusz K. Marchewka ◽  
Marek Drozd
Keyword(s):  
Molecular Structure ◽  
Vibrational Spectra ◽  
Computational Study

Synthesis, crystal and molecular structure, and vibrational spectra of the complex (COOH)2•2H2O•18-crown-6

1986 ◽  
Vol 64 (1) ◽  
pp. 142-147 ◽  
Author(s):  
Suzanne Deguire ◽  
François Brisse ◽  
Jacques Ouellet ◽  
Rodrigue Savoie
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Oxalic Acid ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Crystal And Molecular Structure ◽  
Unit Cell ◽  
Infrared And Raman Spectra ◽  
O 18 ◽  
Stoichiometric Complex

A stoichiometric complex of formula (COOH)2•2H2O•18-crown-6 has been obtained from oxalic acid and the macrocyclic polyether 18-crown-6. The crystals of the complex have a monoclinic unit cell and belong to the P21/c space group. The components in the adduct are linked through hydrogen bonds in a polymer-like fashion: -crown–H2O–HOOCCOOH–OH2–crown–, where the oxalic acid molecules are present in two distinct disordered orientations. The infrared and Raman spectra of the complex are also reported and interpreted.

A computational study on molecular structure and stability of tautomers of dipyrrole-based phenanthroline analogue

2018 ◽  
Vol 1145 ◽  
pp. 6-14
Author(s):  
Moyassar M. Meshhal ◽  
Mohamed F. Shibl ◽  
Safinaz H. El-Demerdash ◽  
Ahmed M. El-Nahas
Keyword(s):  
Molecular Structure ◽  
Computational Study ◽  
Structure And Stability

scholarly journals The Vibrational Spectra and Molecular Structure of Some Silver Pseudohalide Complex Anions.

1972 ◽  
Vol 26 ◽  
pp. 3579-3592 ◽  
Author(s):  
O. H. Ellestad ◽  
P. Klæboe ◽  
E. E. Tucker ◽  
J. Songstad ◽  
Åke Pilotti
Keyword(s):  
Molecular Structure ◽  
Vibrational Spectra ◽  
Complex Anions
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