The conformational isomerization dynamics of N-acetyl tryptophan methyl amide (NATMA) and N-acetyl tryptophan amide (NATA) have been studied using the methods of IR-UV hole-filling spectroscopy (HFS) and IR-induced population transfer spectroscopy (IR-PTS), which were developed for this purpose. Single conformations of these molecules were selectively excited in well-defined NH stretch fundamen...

The determination of a stable molecular structure can often be formulated in terms of calculating the global (or approximate global) minimum of a potential energy function. Computing the global minimum of this function is very difficult because it typically has a very large number of local minima which may grow exponentially with molecule size. The optimization method presented involves collect...

Context. In 2013, we published the first rotational analysis and detection of mono-deuterated dimethyl ether in solar-type protostar IRAS 16293-2422 with IRAM 30 m telescope. Dimethyl is one most abundant complex organic molecules star-forming regions, its D-to-H (D/H) ratios are important to understand chemistry trace source history. Aims. We present doubly deuterated (methoxy- d 2 -methane, 1...

A novel binary compounds as 3-(1,3-diphenyl-1H-pyrazol-4-yl)-2-phenyl-2H-benzo[f]indazole-4,9-dione (10) and fused 2-hydroxy-3-(4-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)naphthalene-1,4-dione (7) naphtho[2,3-b]furan-3,4,9(2H)-trione (6) based on lawsone ‘that plays important precursor’ was synthesized by reaction with 1,3-diphenyl-1H-pyrazole-4-carbaldehyde halo-compounds, such 2-chlor...

Conformational analysis of the experimentally recorded IR absorption spectra propanol in a gaseous state and low-temperature argon matrix at 20 K 35 was carried out for different spectral ranges. It showed that conformational composition samples gas isolation is different. In propanol, Gt conformers predominate, while most energetically favorable form Tg conformer, which prevails percentage bot...

Introduction of ring flipping concept for chair conformers in cyclohexane, and the isolation its twist conformer on a cold Cesium plate, has so far revolutionized our understanding conformations medium-sized rings even small cyclic molecule, like fluxional cyclopentane. Chemists have since built models pondered conformational dynamics molecules. The wheel-model Lipnick, et al.