By Kirill Khamidovich Zhuravlev, Ph.D. Washington State University May 2004 Chair: M. D. McCluskey Conjugated organic molecules are important components in solid-state optoelectronic devices and laser dyes. Changes in the conformations of these molecules affect the optical emission wavelengths. In order to probe the conformation of conjugated molecules, infrared (IR) spectroscopy was performed ...

We have studied the Fourier Transform Infrared (FT-IR) and the Fourier transform Raman (FT-Raman) spectra of stanozolol and oxandrolone, and we have performed quantum chemical calculations based on the density functional theory (DFT) with a B3LYP/6-31G (d, p) level of theory. The FT-IR and FT-Raman spectra were collected in a solid phase. The consistency between the calculated and experimental ...

The coupling of tetrazotised 1,8-diaminonaphthalene with 1,3-dicarbonyl compounds [acetylacetone,methylacetoacetate and acetoacetanilide] yielded a new series of tetradentate ligand systems. Analytical, IR,1H NMR and mass spectral data indicate that the compounds exist in the intramolecularly hydrogen bondeddihydrazone form. Dibasic tetradentate N2O2 coordination of these compounds in their [ML...

the reaction between trimethylamine with propargyl bromide was studied and the structure of triethyl propargyl ammonium bromide was illustrated by 1hnmr, ir, and mass spectra.

Fourier transform infrared (FT-IR) spectroscopy is a physico-chemical method based on measurement of vibration of a molecule excited by IR radiation at a specific wavelength range. FT-IR spectra of bacterial cells can be used to analyze their total composition, including proteins, fatty acids, carbohydrates, nucleic acids, and lipopolysacharides. FT-IR techniques coupled with different chemomet...

The components for connecting high-performance liquid chromatography (HPLC) with Fourier-transform infrared spectroscopy (FTIR) were investigated to determine estrogen in the water environment, including heating for atomization, solvent removal, sample deposition, drive control, spectrum collection, chip swap, cleaning and drying. Results showed that when the atomization temperature was increas...

A method for obtaining high-quality 2D-IR spectra of gas-phase samples is presented. Time-resolved IR absorption spectroscopy techniques, such as 2D-IR spectroscopy, often require that beams are focused into the sample. This limits the exploitable overlapped path length through samples to a few millimeters. To circumvent this limitation, 2D-IR experiments have been performed within a hollow wav...

A spectral database of 100 attenuated total reflectance Fourier transform infrared spectra is created. The software IRSS previously developed in our lab is used to perform spectral search in the database. Despite the slight difference between the absorption and ATR FT-IR spectra, the comprehensive test search sessions of ATR spectra in IR libraries and vice versa (absorption spectra searched in...

Vibrational spectroscopy is frequently used to characterize nanoconfined liquids and probe the effect of the confining framework on the liquid structure and dynamics relative to the corresponding bulk fluid. However, it is still unclear what molecular-level information can be obtained from such measurements. In this paper, we address this question by using molecular dynamics (MD) simulations to...

Large protonated polycyclic aromatic hydrocarbons (H(+) PAHs) are possible carriers of unidentified infrared (UIR) emission bands from interstellar objects, but the characterization of infrared (IR) spectra of large H(+) PAHs in the laboratory is challenging. IR absorption spectra of protonated coronene (1-C24 H13 (+) ) and mono-hydrogenated coronene (1-C24 H13 (.) ), which were produced upon e...