A PATH FROM GAS TO LIQUID: DEVELOPMENT OF MODEL HAMILTONIANS FOR CONDENSED PHASE LOCAL MODE IR SPECTRA VIA BENZENE (Bz) AND Bz2

2019 ◽  
Author(s):  
Zachary Dyott ◽  
Edwin Sibert
Keyword(s):  
Ir Spectra ◽  
Condensed Phase ◽  
Local Mode ◽  
Gas To Liquid ◽  
Model Hamiltonians

Evolution of IR spectra of a weakly-bound OCO⋯HCl complex with increasing CO2 density from the gas to liquid phase

2001 ◽  
Vol 598 (2-3) ◽  
pp. 205-211 ◽  
Author(s):  
K.S Rutkowski ◽  
K.G Tokhadze ◽  
P Lipkowski ◽  
A Koll ◽  
R Ahmedjonov ◽  
...  
Keyword(s):  
Liquid Phase ◽  
Ir Spectra ◽  
Weakly Bound ◽  
Gas To Liquid ◽  
Co2 Density

Local Mode Analysis: Decoding IR Spectra by Visualizing Molecular Details

2017 ◽  
Vol 121 (15) ◽  
pp. 3483-3492 ◽  
Author(s):  
M. Massarczyk ◽  
T. Rudack ◽  
J. Schlitter ◽  
J. Kuhne ◽  
C. Kötting ◽  
...  
Keyword(s):  
Ir Spectra ◽  
Mode Analysis ◽  
Local Mode ◽  
Local Mode Analysis

Static vs dynamic DFT prediction of IR spectra of flexible molecules in the condensed phase: The (ClCF 2 CF(CF 3 )OCF 2 CH 3 ) liquid as a test case

2017 ◽  
Vol 183 ◽  
pp. 195-203
Author(s):  
Daria Ruth Galimberti ◽  
Alberto Milani ◽  
Marie-Pierre Gaigeot ◽  
Stefano Radice ◽  
Claudio Tonelli ◽  
...  
Keyword(s):  
Ir Spectra ◽  
Condensed Phase ◽  
Test Case ◽  
Flexible Molecules

Examinations of the Matrix Isolation Fourier Transform Infrared Spectra of Organic Compounds: Part XVI

1989 ◽  
Vol 43 (6) ◽  
pp. 1008-1016 ◽  
Author(s):  
W. M. Coleman ◽  
Bert M. Gordon
Keyword(s):  
Fourier Transform ◽  
Ir Spectra ◽  
Vapor Phase ◽  
Infrared Spectra ◽  
Condensed Phase ◽  
Matrix Isolation ◽  
Absorption Bands ◽  
Argon Matrix ◽  
The Matrix ◽  
The Impact

Information concerning the matrix isolation Fourier transform infrared spectra of a series of alkanes, esters, lactones, lactams, phenols, alcohols, amides, alkenes, and ketones is presented. A comparison between the characteristics of the spectra in two matrices (argon and xenon) as well as in the absence of any matrix (bare gold disk) is drawn. The impact of these matrices on the characteristics of the IR spectra is compared with the impact observed when spectra are gathered in the vapor phase as well as the condensed phase/solid state. For the majority of compounds studied, the major absorption bands of each class of compound fall between higher values for the vapor phase and lower values for the condensed phase when either argon or xenon is used as the matrix gas. The few exceptions are discussed. The absorption bands found in the xenon matrix are usually at a lower energy than are comparable bands in the argon matrix. In most all cases, the values of absorptions for compounds on the bare disk were lower than the comparable values found in the argon matrix. These results represent the first extensive study at 10 K of the effect of different matrix gas hosts and document the proposal that preconceptions of noble gases as inert hosts for the examination of FT-IR spectra at low temperature are not valid.

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

Condensed-Phase Effects on the Structural Properties of C6H5CN−BF3and (CH3)3CCN−BF3:  IR Spectra, Crystallography, and Computations

2005 ◽  
Vol 109 (36) ◽  
pp. 8199-8208 ◽  
Author(s):  
J. A. Phillips ◽  
D. J. Giesen ◽  
N. P. Wells ◽  
J. A. Halfen ◽  
C. C. Knutson ◽  
...  
Keyword(s):  
Ir Spectra ◽  
Structural Properties ◽  
Condensed Phase
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