Molecular structure of chlorine-substituted benzenes by microwave spectroscopy.

Structure determination of trans-cinnamaldehyde by broadband microwave spectroscopy.

The rotational spectrum of trans-cinnamaldehyde ((E)-3-phenyl-2-propenal, C9H8O) was recorded by chirped-pulse Fourier transform microwave spectroscopy in the frequency range of 2-8.5 GHz. The odourant molecule is the essential component of cinnamon oil and causes the characteristic smell. The rotational signatures of two conformers were observed: s-trans-trans- and s-cis-trans-cinnamaldehyde. ...

Quantitative structure-activity relationships for the toxicity of substituted benzenes to Cyprinus carpio.

OBJECTIVE To measure the 96h-LC50 values of 32 substituted benzenes to the carp and to study the relationship between quantitative structure-activity and structural parameters of chemicals. METHODS The acute toxicity values of 32 substituted benzenes to the carp were determined in a semistatic test. The energy of the lowest unoccupied molecular orbital, and the highest occupied molecular orbi...

APPLICATION OF FTIR-SPECTROSCOPY TECHNIQUE IN CHARACTERIZING MOLECULAR STRUCTURE OF NATURAL POZZOLAN-BASED GEOPOLYMER CEMENT

geopolymer cement (inorganic polymeric binder) based on natural pozzolan are investigated. SiOof activator and total molar ratios of Nacomposition exhibiting the highest 28-day compressive strength. Mixtures exhibiting the highest compressive strength were studied for their molecular structure using laboratory technique of Fourier transform infrared spectroscopy.Results obtained confirm that ch...

Pd-mediated synthesis of substituted benzenes fused with carbocycle/heterocycle.

A new Pd-catalyzed one-pot multicomponent coupling reaction for the construction of benzene ring fused with carbocycle or heterocycle under a Cu-free condition is described.

Microwave spectrum and molecular structure of PNO