Various absorption intensity spectra of liquids CH 3 OH, CH 3 OD, CD 3 OH, and CD 3 OD: refractive indices, transition moments, and dipole moment derivatives of these molecules

1994 ◽  
Author(s):  
John E. Bertie ◽  
Shuliang L. Zhang
Keyword(s):  
Dipole Moment ◽  
Refractive Indices ◽  
Absorption Intensity ◽  
Transition Moments ◽  
Derivatives Of

Infrared Intensities of Liquids XV: Infrared Refractive Indices from 8000 to 350 cm−1, Absolute Integrated Intensities, Transition Moments, and Dipole Moment Derivatives of Methanol-d, at 25°C

1994 ◽  
Vol 48 (2) ◽  
pp. 176-189 ◽  
Author(s):  
John E. Bertie ◽  
Shuliang L. Zhang
Keyword(s):  
Refractive Index ◽  
Dipole Moment ◽  
Molecular Properties ◽  
Refractive Indices ◽  
The Real ◽  
Transition Moments ◽  
Refractive Index Spectrum ◽  
Integrated Intensities ◽  
Derivatives Of ◽  
Real Refractive Index

This paper reports infrared absorption intensities of liquid methanol- d, CH3OD, at 25°C, between 8000 and 350 cm−1 Measurements were made by multiple attenuated total reflection spectroscopy with the use of the CIRCLE cell, and by transmission spectroscopy with a variable-path-length cell with CaF2 windows. The results of these two methods agree excellently and were combined to yield an imaginary refractive index spectrum, k(ν˜) vs. ν˜, between 6187 and 350 cm−1. The imaginary refractive index spectrum was arbitrarily set to zero between 6187 and 8000 cm−1 where k is always less than 2 × 10−6, in order that the real refractive index can be calculated below 8000 cm−1 by Kramers-Krönig transformation. The results are reported as graphs and as tables of the real and imaginary refractive indices between 8000 and 350 cm−1, from which all other infrared properties of liquid methanol- d can be calculated. The accuracy is estimated to be ± 3% below 5900 cm−1 and ± 10% above 5900 cm−1 for the imaginary refractive index and better than ± 0.5% for the real refractive index. In order to obtain molecular information from the refractive indices, the spectrum of the imaginary polarizability multiplied by wavenumber, ν˜ vs. ν˜, was calculated under the assumption of the Lorentz local field. The area under this ν˜ spectrum was separated into the integrated intensities of different vibrations. Molecular properties were calculated from these integrated intensities—specifically, the transition moments and dipole moment derivatives of the molecules in the liquid, the latter under the harmonic approximation. The availability of the spectra of both CH3OH and CH3OD enables the integrated intensities and the molecular properties of the C-H, O-H, O-D, and C-O stretching and CH3 deformation vibrations to be determined with confidence to a few percent. Further work with isotopic molecules is needed to improve the reliability of the integrated intensities of the C-O-H(D) in-plane bending, H-C-O-H(D) torsion, and CH3 rocking vibrations.

Optical Constants and Dipole Moment Derivatives of Bromobenzene between 3200 and 400 cm−1 at 25 °C

1998 ◽  
Vol 52 (8) ◽  
pp. 1062-1072 ◽  
Author(s):  
C. Dale Keefe ◽  
Janet Pittman
Keyword(s):  
Dipole Moment ◽  
Optical Constants ◽  
Refractive Indices ◽  
Normal Coordinates ◽  
Molar Polarizability ◽  
Ft Ir ◽  
Transmission Measurements ◽  
Integrated Intensities ◽  
Derivatives Of ◽  
Absorbance Spectra

The optical constants (real and imaginary refractive indices) of bromobenzene were determined at 25 °C via transmission measurements. Experimental absorbance spectra measured on a Nicolet Impact 410 FT-IR were converted to imaginary refractive indices by using methods described in the literature. The real refractive indices were obtained by Kramers-Kronig transformation of the imaginary refractive indices. The complex refractive indices were used to calculate the molar absorption coefficient ( Em) and complex molar polarizability (m) spectra. The integrated intensities and dipole moment derivatives with respect to normal coordinates for the fundamentals were obtained from the areas under the bands in the α“m spectrum. These dipole moment derivatives were compared to those obtained from the spectra of chlorobenzene in the literature. It was found that, in general, the dipole moment derivatives displayed very little dependence on the substituent, even for some of the vibrations for which the wavenumber is substituent sensitive.

scholarly journals Fabrication of Multi-Layer Metal Oxides Structure for Colored Glass

Materials ◽  
2021 ◽  
Vol 14 (9) ◽  
pp. 2437
Author(s):  
Akpeko Gasonoo ◽  
Hyeon-Sik Ahn ◽  
Eun-Jeong Jang ◽  
Min-Hoi Kim ◽  
Jin Seog Gwag ◽  
...  
Keyword(s):  
Refractive Indices ◽  
Colored Glass ◽  
Wave Optics ◽  
Process Technology ◽  
Color Design ◽  
Simulation Based ◽  
Building Integrated Photovoltaic ◽  
Derivatives Of ◽  
Design Freedom ◽  
Bright Blue

This study proposes front colored glass for building integrated photovoltaic (BIPV) systems based on multi-layered derivatives of glass/MoO3/Al2O3 with a process technology developed to realize it. Molybdenum oxide (MoO3) and aluminum oxide (Al2O3) layers are selected as suitable candidates to achieve thin multi-layer color films, owing to the large difference in their refractive indices. We first investigated from a simulation based on wave optics that the glass/MoO3/Al2O3 multi-layer type offers more color design freedom and a cheaper fabrication process when compared to the glass/Al2O3/MoO3 multi-layer type. Based on the simulation, bright blue and green were primarily fabricated on glass. It is further demonstrated that brighter colors, such as yellow and pink, can be achieved secondarily with glass/MoO3/Al2O3/MoO3 due to enhanced multi-interfacial reflections. The fabricated color glasses showed the desired optical properties with a maximum transmittance exceeding 80%. This technology exhibits promising potential in commercial BIPV system applications.

scholarly journals The effect of the solvent nature on the quinoline derivatives physicochemical characteristics

2019 ◽  
Vol 60 (11) ◽  
pp. 31-39
Author(s):  
Vladimir V. Shcherbakov ◽  
◽  
Svetlana V. Kurbatova ◽  
Margarita N. Zemtsova ◽  
◽  
...  
Keyword(s):  
Dipole Moment ◽  
Surface Area ◽  
Chemical Nature ◽  
Solvation Energy ◽  
Biologically Active ◽  
Quinoline Derivatives ◽  
Polar Surface Area ◽  
Polar Surface ◽  
Solvent Nature ◽  
Derivatives Of

The influence of the solvent nature on some physicochemical parameters of the quinoline derivatives molecules is investigated. It was noted that a variety of intermolecular interactions arising between the dissolved substance and the solvent and often accompanied by the phenomena of solvation, association, etc. leads to a variety of structural and energy changes in such systems and complicating their description. The most urgent problems of solutions include issues related to the solubility and bioavailability of biologically active compounds and drugs, the study of their ability to dissolve, the permeability of biological barriers, targeted delivery, etc., as well as the problems associated with the study of sorption of organic compounds from aqueous-organic eluents, for example, in liquid chromatography. Derivatives of quinoline (4-carboxy- and 4-aminoquinoline), known as potential drugs with various types of pharmacological action, were used as research objects. Using quantum chemical calculations, the dipole moment of the amino and carboxy derivatives of quinoline was determined, and the data obtained for vacuum and in solvents of various chemical nature were compared. A significant effect of solvent polarity on the dipole moment of quinoline derivatives dissolved in these solvents was found. The values of the solvation energy of quinoline derivatives in solvents of various chemical nature are calculated. It is shown that a change in the solvation energy is determined both by the structure of the molecules of the quinoline derivatives and by the polarity of the solvent. A nonlinear change in the energy of solvation with a change in the polarity of the solvent is established. A comparison is made of the values of the quinoline derivatives molecules polar surface area in solvents of various chemical nature. It was found that the polar surface area of the studied compounds changes slightly with a change in the nature of the solvent.

Sign in / Sign up

Export Citation Format

Share Document