scholarly journals Vibrational Spectra of Zeolite Y as a Function of Ion Exchange

Molecules ◽  
2021 ◽  
Vol 26 (2) ◽  
pp. 342
Author(s):  
Magdalena Król ◽  
Andrzej Koleżyński ◽  
Włodzimierz Mozgawa
Keyword(s):  
Ion Exchange ◽  
Vibrational Spectra ◽  
Lattice Dynamics ◽  
Zeolite Y ◽  
Experimental Investigations ◽  
Computational Studies ◽  
Classical Lattice ◽  
Intensity Calculations ◽  
Synthetic Zeolites ◽  
Ir And Raman

Zeolite Y is one of the earliest known and most widely used synthetic zeolites. Many experimental investigations verify the valuable ion exchange capability of this zeolite. In this study, we assessed the effects of ion exchange on its vibrational spectra. We applied classical lattice dynamics methods for IR and Raman intensity calculations. Computed spectra of optimized zeolite Y structures with different cations were compared with experimental data. The spectra obtained in this study are in agreement with previous experimental and computational studies on zeolites from the faujasite group.

scholarly journals Darstellung von trans-[PtCl4Br2] 2 -und [PtCl5Br] 2- durch oxidative Addition an [PtCl4]2-/Preparation of trans-[PtCl4Br2] 2--and [PtCl5Br] 2 -by Oxidative Addition to [PtCl4]2-

1983 ◽  
Vol 38 (4) ◽  
pp. 442-445 ◽  
Author(s):  
W. Preetz ◽  
G. Rimkus
Keyword(s):  
Ion Exchange ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Oxidative Addition ◽  
Ion Exchange Chromatography ◽  
Exchange Chromatography ◽  
Mixed Ligand ◽  
Diethylaminoethyl Cellulose ◽  
Ir And Raman ◽  
Stereospecific Reaction

Abstract The oxidative addition of Br2 to [PtCl4]2-in HBr yields almost pure trans-[PtCl4Br2]2-, in HCl nearly pure [PtCl5Br]2-, and in CH2Cl2 by a quantitative and stereospecific reaction completely pure trans-[PtCl4Br2]2-. This is confirmed by ion exchange chromatography on diethylaminoethyl cellulose and by analysis of the vibrational spectra in comparison with the IR and Raman spectra of the well-known species of the series [PtClnBr6-n]2- , n = 0-6. The literature concerning trans-[PtCl4Br2]2- and other mixed ligand complexes is critically discussed.

Vibrational frequencies of the diced and decorated honeycomb lattices

2019 ◽  
Vol 33 (08) ◽  
pp. 1950058 ◽  
Author(s):  
M. Q. Owaidat
Keyword(s):  
Lattice Dynamics ◽  
Vibrational Mode ◽  
Harmonic Approximation ◽  
Vibrational Frequencies ◽  
Numerical Results ◽  
Two Dimensional ◽  
Classical Lattice

In this paper, the classical lattice dynamics for the two-dimensional diced and decorated honeycomb lattices in the harmonic approximation is studied. The numerical results for the vibrational mode frequencies are presented.

Schwingungs-und Elektronenspektren der bindungsisomeren Hexakis(thiocyanato(N)-thiocyanato(S))-osmate(III) und (IV) / Vibrational and Electronic Spectra of Bond-Isomeric Hexakis(thiocyanato(N)-thiocyanato(S))osmates(III) and (IV)

1988 ◽  
Vol 43 (4) ◽  
pp. 371-381 ◽  
Author(s):  
K. Bütje ◽  
W. Preetz
Keyword(s):  
Charge Transfer ◽  
Vibrational Spectra ◽  
Near Infrared ◽  
Bathochromic Shift ◽  
Infrared Region ◽  
Hypsochromic Shift ◽  
Linkage Isomers ◽  
Near Infrared Region ◽  
Ir And Raman ◽  
Metal Ligand

AbstractWell-resolved IR and Raman spectra of the two sets of all 10 isomeric complexes [Os(NCS)n(SCN)6-n]3-/2-, n = 0-6, have been recorded. For both series, νCS(N) > νCS(S) and δNCS > δSCN; for the Os(III) complexes, vCN(N) ~ vCN(S) and vOsN ≥ vOsS while for the Os(IV) compounds, vCN(N) < vCN(S) and vOsN ~ vOsS. The vibrational spectra of the n = 0 and n = 6 members of both sets are assigned according to D3d and Oh point symmetry, respectively. For the mixed linkage isomers the band pattern is strongly influenced by pseudo-octahedral coupling wherever frequencies of N- and S-bonded groups coincide. The metal-ligand stretching region is therefore assigned according rather to pseudo-Oh, pseudo-D3d and pseudo-D4h symmetry than to D4h, C4v, C3v and C2v microsymmetry. The charge-transfer spectra of both series are similar, showing a parallel hypsochromic shift with increasing n value. Upon oxidation, a bathochromic shift of the CT bands by an average of 5400 cm-1 is observed, and the intensity increases by a factor 2-2.5. Weak absorptions in the near infrared region are assigned to intraconfigurational transitions.

Experimental and computational studies on zeolite-Y encapsulated iron(iii) and nickel(ii) complexes containing mixed-ligands of 2,2′-bipyridine and 1,10-phenanthroline

RSC Advances ◽  
2015 ◽  
Vol 5 (108) ◽  
pp. 88636-88645 ◽  
Author(s):  
Solomon Legese Hailu ◽  
Balachandran Unni Nair ◽  
Mesfin Redi-Abshiro ◽  
Rathinam Aravindhan ◽  
Isabel Diaz ◽  
...  
Keyword(s):  
Metal Ion ◽  
Zeolite Y ◽  
Mixed Ligand ◽  
Mixed Ligand Complexes ◽  
Computational Studies ◽  
Mixed Ligands ◽  
Flexible Ligands

Mixed ligand complexes of 2,2′-bipyridine and 1,10-phenanthroline with iron(iii) and nickel(ii) have been encapsulated into a zeolite cage by the reaction of zeolite exchanged metal ion with flexible ligands.

Chemical adsorption of salicylate on silver - A systematic approach to the interpretation of surface-enhanced vibrational spectra

2004 ◽  
Vol 82 (6) ◽  
pp. 987-997 ◽  
Author(s):  
P J.G Goulet ◽  
R F Aroca
Keyword(s):  
Salicylic Acid ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Density Functional ◽  
Ir And Raman Spectra ◽  
Chemical Adsorption ◽  
Surface Enhanced ◽  
Surface Enhanced Raman ◽  
Enhanced Raman Scattering ◽  
Ir And Raman

In this work, surface-enhanced vibrational spectroscopy and normal vibrational spectroscopy as well as density functional theory (DFT) computational methods have been employed to investigate the nature of the chemical adsorption and orientation of the surface species generated from salicylic acid at silver surfaces. The structure of salicylic acid and its IR and Raman spectra are determined at the B3LYP/6-311+G(d,p) level of theory. These results are used in the assignment of the vibrational spectra. Surface-enhanced Raman scattering (SERS) spectra obtained from silver island films thinly coated with salicylic acid confirm chemical adsorption on the Ag nanostructures. To probe the nature of this surface complex, the optimized geometries and IR and Raman spectra of two model salicylate-silver complexes (Ag1 and Ag2) were calculated at the B3LYP/Lanl2DZ level of theory. It was found that good agreement exists between experimentally observed SERS spectra and the simulated SERS spectra of a complex with the salicylate monoanion bound to a Ag+ ion through its carboxylate group (Ag1). The carboxylate silver salt of salicylic acid (essentially the Ag1 complex) was also prepared, and its IR and Raman spectra were recorded for comparison with the surface-enhanced vibrational spectra. These results, along with the application of surface selection rules, suggest that salicylic acid is deprotonated at silver surfaces, interacting through its carboxylate group alone, and is preferentially in a tilted head-on orientation.Key words: chemisorption, salicylic acid, silver, density functional theory, surface-enhanced Raman scattering, reflection-absorption IR spectroscopy, surface-enhanced IR absorption.

Perfluormethyl-Element-Liganden, XI Die Schwingungsspektren von (CF3)2EMn(CO)5 (E=P, As) / Perfluoromethyl Element Ligands, XI. Vibrational Spectra of (CF3)2EMn(CO)5 (E = P, As)

1975 ◽  
Vol 30 (7-8) ◽  
pp. 539-543 ◽  
Author(s):  
Reinhard Demuth ◽  
Joseph Grobe ◽  
Robert Rau
Keyword(s):  
Liquid Phase ◽  
Force Field ◽  
Gas Phase ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Normal Coordinate Analysis ◽  
Ir And Raman Spectra ◽  
Normal Coordinate ◽  
Ir And Raman

The gas phase IR and liquid phase IR and Raman spectra of (CF3)2PMn(CO)5 and (CF3)2AsMn(CO)6 have been recorded. The spectra are assigned on the basis of a normal coordinate analysis using a transferred force field.

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