Vibrational band assignment of 2-ethyl-1-hexanol

2017 ◽  
Vol 16 (03) ◽  
pp. 1750023
Author(s):  
Trocia N. Clasp ◽  
Scott W. Reeve ◽  
Hideya Koizumi
Keyword(s):  
Liquid Phase ◽  
Raman Band ◽  
Vibrational Structure ◽  
Conformational Space ◽  
Infrared Band ◽  
Military Applications ◽  
Band Assignment ◽  
Vibrational Bands ◽  
The Fourier Transform ◽  
Almost All

The vibrational structure of 2-ethyl-1-hexanol is of great interest because of its industrial and military applications. However, detailed spectral analysis is challenging due to its flexibility. This paper reports a detailed analysis of the gas and liquid phase vibrational spectra of 2-ethyl-1-hexanol using the Fourier transform infrared spectroscopy and Raman experimental data. By performing a detailed exploration of the conformational space in this work, the theoretical spectra reproduced almost all experimental details observed, and assigned internal valence coordinates to all of the experimentally observed bands in the floppy 2-ethyl-1-hexanol molecule. Relative contributions from the various internal valence coordinates to the experimental vibrational bands are directly compared between the liquid phase Raman band and the gas and liquid phase infrared band.

Vibrational Spectroscopic Investigation of Glycine Binding in a Zirconium—Aluminum—Glycine Antiperspirant Material

1979 ◽  
Vol 33 (2) ◽  
pp. 114-118
Author(s):  
Richard P. Oertel ◽  
Rhonda M. Rush
Keyword(s):  
Spectral Analysis ◽  
Infrared Spectroscopy ◽  
Spectroscopic Investigation ◽  
Spectral Features ◽  
Vibrational Modes ◽  
Infrared Band ◽  
Raman And Infrared Spectroscopy ◽  
Almost All ◽  
First Time ◽  
Inhibiting Property

Through use of Raman and infrared spectroscopy, we have determined the mode of incorporation of glycine, a gelation inhibitor, in a complex antiperspirant material (ZAG) containing zirconium and aluminum hydroxy chlorides. Most of the vibrational modes of glycine are affected upon inclusion of this component in ZAG. Our spectral analysis indicates that the glycine in ZAG exists as the dipolar ion, coordinated to metal ions through the COO− end and hydrogen bonded to various constituents through the NH3+ end. Almost all of the glycine in solid ZAG is bound in this fashion, as is more than half of the glycine in a 50% (by wt.) aqueous ZAG solution. This binding could well contribute to the gelation-inhibiting property of the glycine in aqueous ZAG by interfering with the extended hydroxy and oxy bridging that commonly exists in solutions containing Zr(IV) and Al(III). Several spectral features of the bound glycine dipolar ion, most especially a prominent Raman and infrared band near 1475 cm−1, are discussed in detail for the first time.

Surface Tension and Bubbles

2011 ◽  
Vol 354-355 ◽  
pp. 37-40
Author(s):  
Cai Xia Xu ◽  
Hai Rong Tang
Keyword(s):  
Phase Transition ◽  
Surface Tension ◽  
Liquid Phase ◽  
Vapor Pressure ◽  
Saturated Vapor Pressure ◽  
Saturated Vapor ◽  
Surfactant Solution ◽  
Liquid Phase Transition ◽  
Almost All

From a molecular perspective, we described the origin of surface tension. Surface tension is exceptionally good at rounding things out, such as bubbles can produce in surfactant solution , also in liquid or vapor-liquid phase transition. Through the experiment of determination of saturated vapor pressure of pure liquids, maybe we can conclude that almost all the bubbles were generated as result of the breakup of the gas-liquid interface.

HITRAN2020: An overview of what to expect

2020 ◽  
Author(s):  
Robert Hargreaves ◽  
Iouli Gordon ◽  
Laurence Rothman ◽  
Robab Hashemi ◽  
Ekaterina Karlovets ◽  
...  
Keyword(s):  
Application Programming Interface ◽  
Line Profiles ◽  
Hitran Database ◽  
Individual Molecule ◽  
Application Programming ◽  
Vibrational Bands ◽  
Atmospheric Radiative Transfer ◽  
Almost All ◽  
Programming Interface ◽  
Scientific Collaborations

<p>The HITRAN database is an integral component of numerous atmospheric radiative transfer models and it is therefore essential that the database contains the most appropriate up-to-date spectroscopic parameters. To this end, the HITRAN2020 database is scheduled to be released at the end of this year.  The compilation of this edition (as is the tradition for the HITRAN database) exemplifies the efficiency and necessity of worldwide scientific collaborations. It is a titanic effort of experimentalists, theoreticians and atmospheric scientists, who measure, calculate and validate the HITRAN data.</p><p>The HITRAN line-by-line lists for almost all 49 molecules have been updated in comparison to HITRAN2016 (Gordon et al., 2017), the previous compilation. The extent of these updates depend on the molecule, but range from small adjustments for a few lines of an individual molecule to complete replacements of line lists and the introduction of new isotopologues. Many new vibrational bands have been added to the database, thereby extending the spectral coverage and completeness of the datasets. In addition the accuracy of the parameters for major atmospheric absorbers has been substantially increased, often featuring sub-percent uncertainties.</p><p>Furthermore, the amount of parameters has also been significantly increased. For example, HITRAN2020 will now incorporate non-Voigt line profiles for many gases, broadening by water vapour (Tan et al., 2019), as well as updated collision induced absorption sets (Karman et al., 2019). The HITRAN2020 edition will continue taking advantage of the new structure and interface available at www.hitran.org (Hill et al., 2016) and the HITRAN Application Programming Interface (Kochanov et al., 2016).</p><p>This talk will provide a summary of these updates, emphasizing details of some of the most important or drastic improvements.</p><p><strong>References:</strong></p><p>Gordon, I.E., .et al., (2017), <em>JQSRT</em> <strong>203</strong>, 3–69.  (doi:10.1016/j.jqsrt.2017.06.038)</p><p>Hill, C., et al., (2016), <em>JQSRT</em> <strong>177</strong>, 4–14.  (doi:10.1016/j.jqsrt.2015.12.012)</p><p>Karman, T., et al. (2019), <em>Icarus</em> <strong>328</strong>, 160–175.  (doi:10.1016/j.icarus.2019.02.034)</p><p>Kochanov, R.V., et al.,( 2016), <em>JQSRT</em> <strong>177</strong>, 15–30.  (doi:10.1016/j.jqsrt.2016.03.005)</p><p>Tan, Y., et al., (2019),<em> J. Geophys. Res. Atmos.</em> <strong>124</strong>, 11580-11594. (doi:10.1029/2019JD030929)</p><p> </p>

Gradual H/D substitution in synthetic germanium bearing talcs: a method for infrared band assignment

Clay Minerals ◽  
1999 ◽  
Vol 34 (2) ◽  
pp. 365-374 ◽  
Author(s):  
F. Martin ◽  
S. Petit ◽  
O. Grauby ◽  
M. P. Lavie
Keyword(s):  
Ir Spectra ◽  
Spectral Shift ◽  
Hydroxyl Groups ◽  
Ir Absorption ◽  
Infrared Band ◽  
Absorption Bands ◽  
Band Assignment ◽  
Ir Bands

AbstractThe deuteration technique was used to assign unknown infrared (IR) bands of Ge-bearing talcs. Procedures to achieve partial or complete H/D replacement in synthetic Ge-bearing (Mg, Ni and Co)-talcs have been investigated. From the spectral shift of IR absorption bands in the 4000–300 cm-1 region resulting from the H-D substitution, the IR bands of vibrations of Ge-bearing talcs could be identified and synthetic Ge-bearing talcs showed significantly different IR spectra from those for Si-talcs. After deuteration of synthetic Ge-bearing talcs, the unknown bands were attributed either to hydroxyl groups or to Ge–O vibrations of the clay skeleton, and the spectra were interpreted fully.

Possible Models of Murein and Their Fourier Transforms

1982 ◽  
Vol 37 (3-4) ◽  
pp. 226-235 ◽  
Author(s):  
Helmut Formanek
Keyword(s):  
Fourier Transform ◽  
Cell Walls ◽  
Fourier Transforms ◽  
Elementary Cell ◽  
Two Dimensional ◽  
Density Measurements ◽  
X Ray ◽  
Rigid Layer ◽  
The Fourier Transform ◽  
Almost All

Abstract Murein, Models, Fourier Transforms Murein, the rigid layer of the cell walls of almost all bacteria can be regarded as derivative of chitin. Within the sterically allowed region its polysaccharide chain can perform conformations with two-to threefold screw axes. Two dimensional Fourier transforms calculated from different possible conformations have been compared with data of density measurements, X-ray and electron diffraction. The Fourier transform of murein with a chitin-like conformation of the poly­ saccharide chain and an elementary cell of 4.5 × 10.4 × 21.5 Å3 provides the best agreement with the experimental results.

scholarly journals The Zinc-Rich Corner of the Fe-Si-Sn-Zn Quaternary System at 450 °C

Metals ◽  
2019 ◽  
Vol 9 (8) ◽  
pp. 908
Author(s):  
Xinming Wang ◽  
Xiaqi Chen ◽  
Xuping Su ◽  
Fucheng Yin ◽  
Zhi Li
Keyword(s):  
Liquid Phase ◽  
Quaternary System ◽  
Phase Region ◽  
Scanning Electronic Microscopy ◽  
Electronic Microscopy ◽  
Maximum Solubility ◽  
Quaternary Compound ◽  
Isothermal Sections ◽  
X Ray ◽  
Almost All

The 450 °C isothermal sections of the Fe-Si-Sn-Zn quaternary system with Zn composition fixed at 70 and 93 at.% were determined experimentally using optical microscopy, scanning electronic microscopy coupled with energy dispersive X-ray spectroscopy (SEM-EDS), and X-ray diffractometry (XRD). Five four-phase regions were identified in the 70 at.% Zn section, whereas no four-phase region was found in the 93 at.% Zn section. The liquid phase was found to be in equilibrium with almost all phases in the two sections, including the FeSn, FeSi, FeSi2, Γ1, δ, ζ, and α-Fe phases. The solubility of Sn in the ζ, FeSi, and FeSi2 phases was rather limited; however, the maximum solubility of Si in the FeSn phase was 0.5 wt.%. No quaternary compound was found in the study.

The Fourier Transform IR Spectra of CIF and BrF

1986 ◽  
Vol 41 (8) ◽  
pp. 1015-1020 ◽  
Author(s):  
H. Bürger ◽  
E. Jacob ◽  
M. Fähnle
Keyword(s):  
Fourier Transform ◽  
Ir Spectra ◽  
Infrared Spectra ◽  
Fourier Transform Infrared ◽  
Rotational Structure ◽  
Fourier Transform Infrared Spectra ◽  
Vibrational Bands ◽  
Fourier Transform Ir ◽  
The Fourier Transform

Fourier transform infrared spectra of C1F and BrF have been measured with a resolution of 0.04 cm-1 in the region of the fundamental and First overtone with an accuracy of 2 and 4 x 10-3 cm-1, respectively. The rotational structure was resolved up to J" = 58/62 (ClF/BrF), and υo values have been obtained from rotational analyses o f the υ 1 ← 0, 2 ← 1, 2 ← 0 and. in part, 3 ← 1 and 3 ← 0 vibrational bands. These have been employed to obtain the hitherto most accurate ωe, ωeχe and (for C1F) ωeγe values. From the rotational analyses, Be, αe, γe, De and ße have been derived.

Sign in / Sign up

Export Citation Format

Share Document