Spectroscopic characteristics of dimethylsulfoxide molecules coordinated to Mg2+ cation. structure of complexes [Mg(DMSO) i (CH3CN)6-i ]2+ from the data of quantum-chemical calculations and IR spectra of Mg(ClO4)2-DMSO-CH3CN Solutions

2010 ◽  
Vol 80 (7) ◽  
pp. 1296-1308 ◽  
Author(s):  
I. A. Boyarskaya ◽  
S. Kh. Akopian
Keyword(s):  
Ir Spectra ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Spectroscopic Characteristics

Dihydronaphthalenone Carboxylates - Spectral Characteristics and Structure

1997 ◽  
Vol 52 (5) ◽  
pp. 457-461 ◽  
Author(s):  
Sn. Bakalova ◽  
A. Georgieva ◽  
P. Nikolov ◽  
E. Stanoeva
Keyword(s):  
Ir Spectra ◽  
Quantum Chemical Calculations ◽  
Electronic Spectra ◽  
Quantum Chemical ◽  
Substituent Effect ◽  
Methyl Esters ◽  
Spectral Characteristics ◽  
Absorption Bands ◽  
Tautomeric Forms ◽  
Luminescence Characteristics

Abstract The absorption and luminescence characteristics of a group of newly synthesized methyl esters of 2-alkyl (p-substituted-aryl) -aminomethylene-3,4-dihydro-1(2 H)-naphthalenone-4-carboxylic acids have been investigated. The studied compounds may exist in three tautomeric forms. On the basis of comparison of their electronic spectra to those of similar substances, the observed substituent effect on the position of the UV-VIS absorption bands, the IR spectra and the results of PPP-SCF-CI quantum-chemical calculations it is concluded that the keto tautomer predominates in solution.

(Ph4P)2 [Be2F6]×2CH3CN: Synthesis, IR Spectra, Crystal Structure, and Quantum Chemical Calculations.

ChemInform ◽  
2007 ◽  
Vol 38 (35) ◽  
Author(s):  
Ralf Tonner ◽  
Gernot Frenking ◽  
Bernhard Neumueller ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical

Acetylene associates (C2H2)n (n=2–4). IR-spectra in argon matrixes and quantum-chemical calculations

2013 ◽  
Vol 1049 ◽  
pp. 392-399 ◽  
Author(s):  
A.V. Golovkin ◽  
D.I. Davlyatshin ◽  
A.L. Serebrennikova ◽  
L.V. Serebrennikov
Keyword(s):  
Ir Spectra ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical
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