Near-infrared spectra of single crystals of dialkalie metal tetrachlorocupratohydrates (M2CuCl4.2H2O) (M = K, Rb) and copper(II) chloride dihydrate at low temperature: a local-mode analysis

1989 ◽  
Vol 93 (6) ◽  
pp. 2230-2236 ◽  
Author(s):  
Ian M. Walker ◽  
Paul J. McCarthy
Keyword(s):  
Low Temperature ◽  
Single Crystals ◽  
Infrared Spectra ◽  
Near Infrared ◽  
Mode Analysis ◽  
Local Mode ◽  
Chloride Dihydrate ◽  
Near Infrared Spectra ◽  
Local Mode Analysis

Single crystal polarized spectra in the near-infrared region: a local-mode analysis of the spectra of CsMnCl3•2X2O (X = H, D)

1994 ◽  
Vol 72 (5) ◽  
pp. 1211-1217 ◽  
Author(s):  
Ian M. Walker ◽  
Paul J. McCarthy
Keyword(s):  
Hydrogen Bond ◽  
Near Infrared ◽  
Infrared Region ◽  
Chloride Ions ◽  
Mode Analysis ◽  
Local Mode ◽  
Local Modes ◽  
Near Infrared Spectra ◽  
Parameter Values ◽  
Local Mode Analysis

Polarized near-infrared spectra of single crystals of CsMnCl3•2X2O (X = H, D) were recorded at 10 K. Those bands which could be assigned to O—H or O—D stretch overtones were analyzed using local-mode theory specifically adapted for systems having less than C2v symmetry. Both O—H oscillators form nearly linear hydrogen bonds to neighboring chloride ions at different distances. As a result, the local-mode harmonic frequency and anharmonicity parameters show characteristic shifts from their gas-phase values. The parameter values cover an unusually narrow range in this crystal, considering the spread in hydrogen-bond distances. Assignment of stretch overtone bands to specific oscillators in the crystal was made by using the polarization behavior expected of local modes in the oriented gas model. Several of the overtone bands show combinations with lattice modes or low-energy hydrogen-bond modes in unusual detail.

Optical elements for near infrared spectra region from high optical quality lithium niobate single crystals

1994 ◽  
Author(s):  
Dmitry Y. Sugak ◽  
Andrej O. Matkovskii ◽  
E. A. Korobenko ◽  
Anatolij I. Mikhalevych ◽  
Ivan M. Solskii ◽  
...  
Keyword(s):  
Lithium Niobate ◽  
Single Crystals ◽  
Infrared Spectra ◽  
Near Infrared ◽  
Optical Quality ◽  
Optical Elements ◽  
High Optical Quality ◽  
Near Infrared Spectra

Near-infrared spectra of Ba(NO2)2•X2O (X = H,D) at 10 K. A local-mode approach

1997 ◽  
Vol 75 (8) ◽  
pp. 1099-1105 ◽  
Author(s):  
Ian M. Walker ◽  
Paul J. McCarthy
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Infrared Spectra ◽  
Near Infrared ◽  
Fermi Resonance ◽  
Strong Hydrogen Bond ◽  
Local Mode ◽  
Morse Oscillator ◽  
Near Infrared Spectra ◽  
Bifurcated Hydrogen Bond

The fundamental and overtone vibrational spectra of Ba(NO2)2•X2O (X=H,D) have been interpreted using the local mode model. The calculated parameters are consistent with the structure, which has one strong hydrogen bond and one weak bifurcated hydrogen bond. Evidence for Fermi resonance between stretch and bend features having similar energies is discussed. Evidence for the breakdown of the simple Morse oscillator model, which was quite successful for [Formula: see text] hydrogen bonds, is also presented. Keywords: overtone, spectra, near-infrared, hydrates, local-mode model.

Short-Wave near Infrared Spectra of Organic Liquids

1993 ◽  
Vol 1 (1) ◽  
pp. 13-23 ◽  
Author(s):  
Anthony S. Bonanno ◽  
Peter R. Griffiths
Keyword(s):  
Molecular Structure ◽  
Qualitative Analysis ◽  
Infrared Spectra ◽  
Near Infrared ◽  
Short Wave ◽  
Organic Liquids ◽  
Local Mode ◽  
Near Infrared Spectra ◽  
Vibrational Transitions

Multi-quanta vibrational transitions are discussed in terms of the local mode model in order to develop a better understanding of the features observed in the short-wave near infrared (700–1100 nm) spectra of organic liquids. It is demonstrated that the spectra of simple alkanes and alcohols exhibit local mode features, and that these features are characteristic of molecular structure and will, therefore, be useful for quantitative and qualitative analysis.

Monitoring transient events in infrared spectra using local mode analysis

2018 ◽  
Vol 86 (10) ◽  
pp. 1013-1019
Author(s):  
Matthias Massarczyk ◽  
Jürgen Schlitter ◽  
Carsten Kötting ◽  
Till Rudack ◽  
Klaus Gerwert
Keyword(s):  
Infrared Spectra ◽  
Mode Analysis ◽  
Local Mode ◽  
Transient Events ◽  
Local Mode Analysis

Single-crystal polarized spectra in the near-infrared region: a local-mode analysis of the spectra of M2MnCl4•2X2O (M = Cs, Rb; X = H, D)

1996 ◽  
Vol 74 (2) ◽  
pp. 246-253 ◽  
Author(s):  
Ian M. Walker ◽  
Paul J. McCarthy
Keyword(s):  
Hydrogen Bond ◽  
Single Crystal ◽  
Near Infrared ◽  
Infrared Region ◽  
Fermi Resonance ◽  
Mode Analysis ◽  
Local Mode ◽  
Bending Mode ◽  
Near Infrared Region ◽  
Local Mode Analysis

The polarized crystal spectra of M2MnCl4•2X2O (M = Cs, Rb; X = H, D) have been measured at 10 K in the near-infrared region. The data have been analyzed using a local-mode model that includes the bending mode. The resulting parameters are related to hydrogen bonding in the crystals. The spectra of partially deuterated species show a large number of bands due to HOD vibrations. The parameters from these spectra are compared to those from the H2O and D2O spectra. Arguments as to the importance of Fermi resonance in these spectra are presented. Key words: near-infrared, single crystal, hydrogen bond, Fermi resonance.

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