Phthalocyaninato polysiloxanes substituted with crown ether moieties

Formation of Supramolecular Polymers from Homoditopic Molecules Containing Secondary Ammonium Ion and Crown Ether Moieties

Boron nitride substituted 12-crown-4 ether: Theoretical study of structural, thermochemical, and nonlinear optical properties

The structures and stability of 531 novel boron nitride substituted isomers of 12-crown-4 etherverified theoretically. For a collection of 23 selected BN isomers, structural geometry, vibrationalstability, energy gaps, natural bond population analysis, and nonlinear optical responses investigatedtheoretically. The changes of standard enthalpies for ionization reactions and electron affinityreac...

Chiral molecular tapes from novel tetra(thiafulvalene-crown-ether)-substituted phthalocyanine building blocks.

A tetra(thiafulvalene-crown-ether) phthalocyanine self-assembles into helical tapes nanometers wide and micrometers long. Formation of these scrolled molecular architectures is a first for phthalocyanine fibres and shows potential as a novel conducting material.

boron nitride substituted 12-crown-4 ether: theoretical study of structural, thermochemical, and nonlinear optical properties

the structures and stability of 531 novel boron nitride substituted isomers of 12-crown-4 etherverified theoretically. for a collection of 23 selected bn isomers, structural geometry, vibrationalstability, energy gaps, natural bond population analysis, and nonlinear optical responses investigatedtheoretically. the changes of standard enthalpies for ionization reactions and electron affinityreac...

Charge transfer in some complexes of crown ether and of thiacrown ether with dihalogens: DFT study.

The present study was carried out by focusing on the interaction between molecular complexes crown and thiacrown ethers such as 15-crown-5 (15C5), thia-15-crown-5 (T15C5), dithia-15-crown-5 (DT15C5) with homogeneous and heterogeneous dihalogens (XY) such as I2, IBr, ICl, Br2, Cl2 in the gas phase and in dichloromethane solvent through applying density function theory (DFT) as well as Gaussian 9...