On the relations between aromaticity and substituent effect

Relation between the substituent effect and aromaticity.

Molecular geometries of benzene and its 18 monosubstituted derivatives were optimized at B3LYP/6-311+G** level of theory. The changes of pi-electron delocalization of the benzene fragment were estimated by use of aromatic stabilization energies (ASE) based on different homodesmotic reaction schemes, geometry-based HOMA model, magnetism-based NICS, NICS(1), NICS(1)zz, and an electronic delocaliz...

Substituent Effect on the Aromaticity of 1 , 3 - Azole Systems

Substituent effects on the energetics and aromaticity of aminomethylbenzoic acids.

The standard (p0 = 0.1 MPa) molar enthalpies of combustion of six aminomethylbenzoic acids were measured at T = 298.15 K by static bomb calorimetry. With these values, the standard molar enthalpies of formation in the crystalline state were obtained. Combining these results with the standard molar enthalpies of sublimation, the standard molar enthalpies of formation in the gaseous phase were de...

Substituent effects on the aromaticity of carbocyclic five-membered rings.

The influence of the substituent nature, as well as the number and position of the substituents, on the aromaticity/antiaromaticity of a comprehensive set of derivatives of cyclopentadienyl anion, cyclopentadiene and cyclopentadienyl cation has been analyzed. The aromaticity/antiaromaticity of substituted cyclopentadienyl derivatives has been measured using energetic, magnetic and structural cr...

on translation of phatic communion and socio-cultural relationships between the characters of the novels

phatic communion is a cultural concept which differs across cultures. according to hofstede (2001), the u.s. tends to have individualistic culture; however, asian countries tend to have collectivistic cultures. these cultures view phatic communion differently. in individualistic cultures like u.s., phatic communion reflects speakers’ socio-cultural relationships in conversations. to see whether...