Tenability on schiff base Hydrazone derivatives and Frontier molecular orbital.

Context hydrazine compounds based on 1,3,5-triazine were synthesised and their molecular structures were characterised by elemental analysis, Electronic, IR and H NMR spectra. The spectral behaviour of the newly prepared compounds in organic solvents of different polarities was extensively studied and correlated to the molecular structure. In this study, 1,3,5-Triazine derivatives (L1, L6, L7, L8) have been subjected to theoretical studies using the Semi-empirical PM3 quantum chemical method.

Experimental and theoretical spectroscopic studies in relation to molecular structure investigation of para chloro, para fluoro and para nitro maleanilinic acids.

In the present work novel para chloro, para fluoro and para nitro maleanilic acid derivatives were prepared and investigated using FT-IR, thermal analyses (TA) measurements (TGA/DTG and DTA) in comparison with mass spectral (MS) fragmentation at 70 eV. The crystallographic structures of studied compounds were investigated by X-ray diffraction (XRD). The vibrational frequencies and the corresponding normal modes were evaluated at the optimized geometry.

Structure investigation of three hydrazones Schiff's bases by spectroscopic, thermal and molecular orbital calculations and their biological activities.

Three Schiff's bases AI (2(1-hydrazonoethyl)phenol), AII (2, 4-dibromo 6-(hydrazonomethyl)phenol) and AIII (2(hydrazonomethyl)phenol) were prepared as new hydrazone compounds via condensation reactions with molar ratio (1:1) of reactants. Firstly by reaction of 2-hydroxy acetophenone solution and hydrazine hydrate; it gives AI. Secondly condensation between 3,5-dibromo-salicylaldehyde and hydrazine hydrate gives AII.

Preparation and structure investigation of novel Schiff bases using spectroscopic, thermal analyses and molecular orbital calculations and studying their biological activities.

Two novel Schiff's bases (EB1 and L1) as new macrocyclic compounds were prepared via condensation reactions between bisaldehyde (2,2'-(ethane-1,2-diylbis(oxy))dibenzaldehyde): firstly with hydrazine carbothioamide to give (EB1), secondly with 4,6-diaminopyrimidine-2-thiol to give (L1). EB1 has a general formula C₁₈H₂₀N₆O₂S₂ of mole mass=416.520, and IUPAC name ((N,N'Z,N,N'E)-N,N'-(((ethane1,2diylbis(oxy))bis(2,1phenylene))bis(methanylylidene))bis(1hydrazinylmethanethioamide).

Molecular mechanisms of electron-induced cross-linking in aromatic SAMs.

When aromatic self-assembled monolayers (SAMs) are electron-irradiated, intermolecular cross-links are formed and the SAMs transform into carbon nanosheets with molecular thickness. These nanosheets have a very high mechanical stability and can withstand temperatures above 1000 K. In this report, we investigate the electron induced cross-linking of 1,1'-biphenyl-4-thiol (BPT) SAMs on gold by combining X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (NEXAFS), thermal desorption spectroscopy (TDS), and UV photoelectron spectroscopy (UPS).

Fabrication of molecular nanotemplates in self-assembled monolayers by extreme-ultraviolet-induced chemical lithography.

Extreme-UV interference lithography (EUV-IL) is applied to create chemical nanopatterns in self-assembled monolayers (SAMs) of 4'-nitro-1,1'-biphenyl-4-thiol (NBPT) on gold. X-ray photoelectron spectroscopy shows that EUV irradiation induces both the conversion of the terminal nitro groups of NBPT into amino groups and the lateral crosslinking of the underlying aromatic cores. Large-area ( approximately 2 mm(2)) nitro/amino chemical patterns with periods ranging from 2000 nm to 60 nm can be generated.