ChemInform Abstract: Near-IR Spectra of BaCl2×2D2O at 10 K. A Local-Mode Approach.

ChemInform ◽  
2010 ◽  
Vol 22 (39) ◽  
pp. no-no
Author(s):  
P. J. MCCARTHY ◽  
I. M. WALKER
Keyword(s):  
Ir Spectra ◽  
Local Mode ◽  
Near Ir

scholarly journals Prediction of the near-IR spectra of ices by ab initio molecular dynamics

2019 ◽  
Vol 21 (18) ◽  
pp. 9433-9440 ◽  
Author(s):  
Rafael Escribano ◽  
Pedro C. Gómez ◽  
Belén Maté ◽  
Germán Molpeceres ◽  
Emilio Artacho
Keyword(s):  
Molecular Dynamics ◽  
Ir Spectra ◽  
Ab Initio ◽  
Ab Initio Molecular Dynamics ◽  
Near Ir

Use of ab initio molecular dynamics to predict the near-IR spectra of ices and application to astronomical models.

scholarly journals Near-IR spectra of ISOGAL sources in the inner Galactic Bulge

2003 ◽  
Vol 405 (2) ◽  
pp. 531-550 ◽  
Author(s):  
M. Schultheis ◽  
A. Lançon ◽  
A. Omont ◽  
F. Schuller ◽  
D. K. Ojha
Keyword(s):  
Ir Spectra ◽  
Galactic Bulge ◽  
Near Ir

scholarly journals Visible and Near IR Spectra of Some Divalent Transition Metal Cupferron Complexes

1975 ◽  
Vol 30 (3-4) ◽  
pp. 215-218 ◽  
Author(s):  
A. H. Abou El Ela ◽  
F. M. Abdelkerim ◽  
H. F. Aly ◽  
H. H. Afifi
Keyword(s):  
Transition Metal ◽  
Ir Spectra ◽  
Absorption Spectra ◽  
Ammonium Salt ◽  
Solvent Effects ◽  
Absorption Bands ◽  
Near Ir ◽  
Cobalt Nickel

The visible and near IR spectra of the ammonium salt of cupferron and manganese, cobalt, nickel and copper divalent cupferrate complexes are investigated. New absorption bands observed are given and assigned using the Tanabe-Sugano diagrams. In the absorption spectra of the divalent transition metal cupferrates a characteristic shift in the maxima and minima appears. Solvent effects on this shift were investigated.

Identification of Electrolytes in Aqueous Solutions from Near-IR Spectra

1996 ◽  
Vol 50 (4) ◽  
pp. 444-448 ◽  
Author(s):  
Jie Lin ◽  
Jing Zhou ◽  
Chris W. Brown
Keyword(s):  
Aqueous Solutions ◽  
Ir Spectra ◽  
Principal Component Regression ◽  
Principal Component ◽  
Transition Metal Ions ◽  
Water Molecules ◽  
Spectral Library ◽  
Dipole Interactions ◽  
Near Ir ◽  
Solutions Of Electrolytes

Dissolution of electrolytes causes characteristic changes in the near-IR spectrum of water. These changes result from a decrease in the concentration of water; charge-dipole interactions between ions and water molecules; formation of hydrogen bonds between oxygen or nitrogen atoms in some ions and water molecules; production of H+ and OH− ions from dissociation and hydrolysis; absorptions due to OH, NH, and CH groups in some ions; and intrinsic colors of some transition metal ions. Changes in spectra were used for identification of electrolytes in aqueous solutions. Near-IR spectra of 71 solutions of single electrolytes were measured and used to develop a spectral library. This near-IR spectral library was processed with principal component regression (PCR) and used for the identification of single and multiple electrolytes in aqueous solutions with the use of their spectra. Most of the unknown electrolytes were identified correctly. For the others, very similar electrolytes were selected with one ion identified correctly. The near-IR spectral library of aqueous solutions of electrolytes can be used as a simple and fast approach for the identification of electrolytes.

Changes of the local magnetic properties of the optically excited Nd3+ ions and their manifestation in the near IR spectra of the Nd0.5Gd0.5Fe3(BO3)4 crystal

2016 ◽  
Vol 52 ◽  
pp. 126-133 ◽  
Author(s):  
A.V. Malakhovskii ◽  
S.L. Gnatchenko ◽  
I.S. Kachur ◽  
V.G. Piryatinskaya ◽  
V.L. Temerov
Keyword(s):  
Magnetic Properties ◽  
Ir Spectra ◽  
Near Ir

Exceptionally Symmetric Crystal Structure of (Pentabenzylcyclopentadienyl)(cyclooctatetraene)titanium(III)

2004 ◽  
Vol 69 (11) ◽  
pp. 2036-2044 ◽  
Author(s):  
Ivana Císařová ◽  
Vojtech Varga ◽  
Michal Horáček ◽  
Jiří Kubišta ◽  
Karel Mach
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Titanium Atom ◽  
Mirror Plane ◽  
Metathesis Reaction ◽  
Near Ir

Complex [Ti(III)(η8-C8H8)(η5-C5Bn5)] (1) was prepared by salt metathesis reaction of [TiCl(η8-C8H8)(thf)]2 with LiC5Bn5 and characterized by ESR and UV-near-IR spectra. Its crystal structure is symmetric with respect to a mirror plane involving the titanium atom and one of the benzyl groups.

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