Charge-Transfer Forces in Molecular Compounds. II: Benzene-Iodine Complex

Charge Transfer in Molecular Crystals.

Structural selective charge transfer in iodine-doped carbon nanotubes

We have investigated iodine intercalated carbon nanostructures by extended X-ray absorption fine structure (EXAFS) and Raman spectroscopies. We discuss here the charge transfer and the iodine–carbon interaction as a function of the carbon nanostructures (graphite, multiwalled, double-walled and single walled nanotubes). The results show that iodine is weakly adsorbed on the surface of all multi...

Solvation Ultrafast Dynamics of Reactions. 14. Molecular Dynamics and ab Initio Studies of Charge-Transfer Reactions of Iodine in Benzene Clusters

Previous experiments have been carried out in this laboratory to investigate the dynamics of iodine-benzene charge-transfer reactions. Both 1:1 solute-solvent complexes and 1:n clusters were studied on the femtosecond time scale with kinetic energy time-of-flight mass spectrometry (Cheng, P. Y.; Zhong, D.; Zewail, A. H. J. Chem. Phys. 1996, 105, 6216). Here, we report theoretical studies of the...

Benzene C-H activation at a charge neutral zwitterionic platinum(II) complex.

Charge transfer in the TCNQ-sexithiophene complex.

Molecular crystals from thiophene molecules can be doped with TCNQ-F4 molecules for use in all-organic optoelectronic and semiconductor devices. The charge transfer and the molecular orbital energy level formation in between these two organic molecules are investigated here by density functional theory calculations. The isolated molecules are calculated nonbonded and bonded together, forming a ...