The microwave spectrum of HCCF and DCCF has been investigated in all vibrational states with energy up to 1500 cm -1. In the ground state and low-lying vibrational states mm-wave measurements up to 210 GHz Avere made. In some cases a detailed analysis of the vibrational state rotation spectrum including the effects of Z-type resonance, and the determination of the anharmonicity constant gtt was...

The FT-IR (4000-400 cm) and FTRaman (4000-100 cm) spectra of 2-chloro-4-nitroaniline (2Cl4NA) have been recorded using Bruker IFS 66 V spectrometer. An ab initio HF(HF/6-311G(d,p) and DFT(B3LYP/6-311G(d,p)) calculations have been performed giving energies, optimized structures, harmonic vibrational frequencies,IR intensities and Raman activities. The study is extended to the HOMO LUMO analysis ...

Bioactive molecules are playing essential role in the field of drug discovery and various pharmaceutical applications. Vibrational spectral investigations of the anti-Candida agent ({[(1E)-3-(1H-imidazol-1-yl)-1-phenylpropylidene]amino}oxy)(4-methylphenyl)methanone ((1E)-IPMM) have been recorded and analyzed to understand its structural geometry, interand intra-molecular interactions. The equil...

The 351.1-nm (3.532-eV) photoelectron spectrum of the nitrite anion (NO,) is reported. The electron affinity of NO2 is found to be 2.273 f 0.005 eV, which leads to the heat of formation AfHoo(NOJ = -183.4 f 0.9 k.J/fiol(-43.8 * 0.2 kcal/mol). Vibrational progressions of the symmetric stretch and bending modes of nitrogen dioxide, N02(X2AI), are observed up to 8000 cm-’ above the ground state. O...

Electronic and vibrational structures in the S(0) (1)A(1) and S(1) (1)A(1) states of jet-cooled phenanthrene-h(10) and phenanthrene-d(10) were analyzed by high-resolution spectroscopy using a tunable nanosecond pulsed laser. The normal vibrational energies and molecular structures were estimated by ab initio calculations with geometry optimization in order to carry out a normal-mode analysis of...

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In this work we have used Fourier transform infrared (FTIR) / vibrational absorption (VA) spectroscopy to study two cancer cell lines: the Henrietta Lacks (HeLa) human cervix carcinoma and 5637 human bladder carcinoma cell lines. Our goal is to experimentally investigate biochemical changes and differences in these cells lines utilizing FTIR spectroscopy. We have used the chemometrical and stat...

BACKGROUND 2-amino pyridine derivatives have attracted considerable interest because they are useful precursors for the synthesis of a variety of heterocyclic compounds possessing a medicinal value. In this work we aim to study both structural and electronic as well as high quality vibrational spectra for 2-amino-3-methylpyridine (2A3MP) and 2-amino-4-methylpyridine (2A4MP). RESULTS Møller-Pl...

Using data from extensive vibrational tests of the new aircraft Saab three di erent methods for vibration analysis are studied These methods are ERA eigensystem realization algorithm N SID a subspace method and PEM prediction error approach We nd that both the ERA and N SID methods give good initial model parameter estimates that can be further improved by the use of PEM We also nd that all met...

Time-average holographic interferometry has been employed to study how the vibrational modes of a singing wine glass change when it is filled with a liquid. While the liquid clearly lowers the resonance frequencies, it does not change the vibrational mode structure in a first approximation. A more detailed analysis, however, reveals that the presence of the liquid causes the simultaneous excita...