scholarly journals Computational analysis of the far infrared spectral region of various deuterated varieties of ethylene glycol

2020 ◽  
Vol 22 (41) ◽  
pp. 23785-23794
Author(s):  
Rahma Boussessi ◽  
María Luisa Senent

The FIR spectrum of three deuterated isotopologues of ethylene glycol are studied using highly correlated ab initio methods, VPT2 theory and a variational procedure of reduced dimensionality.

1971 ◽  
Vol 49 (15) ◽  
pp. 2598-2604 ◽  
Author(s):  
François Yves Petillon ◽  
Jacques Emile Guerchais

The study of the far infrared spectral region permits one to distinguish between the pseudo-tetrahedral complexes NiI2L2 (L = R1R2C3S3 where R1 = CH3 and R2 = H, R1 = R2 = CH3, R1 = C4H3S and R2 = H) and the square planar complex NiI2L′2 (L′ = R1R2C3S3 where R1 = C6H5 and R2 = H). The electronic spectra recorded in the solid state confirm the distinction. The displacement of the band νC=S of the molecule 1,2-dithio-1-3-thione which enters the sphere of coordination is more marked in the complexes of cobalt(II) than in the corresponding nickel(II) complexes.


2000 ◽  
Vol 77 (7) ◽  
pp. 930 ◽  
Author(s):  
E. B. Franke ◽  
C. L. Trimble ◽  
M. Schubert ◽  
J. A. Woollam ◽  
J. S. Hale

2005 ◽  
Vol 44 (26) ◽  
pp. 5512 ◽  
Author(s):  
Ping Yang ◽  
Heli Wei ◽  
Hung-Lung Huang ◽  
Bryan A. Baum ◽  
Yong X. Hu ◽  
...  

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