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Solvent-Dependent Self-Assembly of 4,7-Dibromo-5,6-bis(octyloxy)benzo[c][1,2,5] Thiadiazole CAS NO: 76186-72-6 on Graphite Surface by Scanning Tunneling Microscopy

Solvent effect on self-assembly of 4,7-dibromo-5,6-bis(octyloxy)benzo[c][1,2,5] thiadiazole (DBT) CAS NO: 76186-72-6 on a highly oriented graphite (HOPG) surface was investigated by scanning tunneling microscopy (STM) by using 1-phenyloctane, 1-octanoic acid, and 1-octanol as the solvents. Two different patterns were obtained in 1-phenyloctane and 1-octanoic acid, suggesting that the self-assembly of DBT was solvent dependent. At the 1-phenyloctane/HOPG interface, a linear structure was revealed due to the intermolecular halogen bonding. When 1-octanoic acid and 1-octanol are used as the solvents, the coadsorption of solvent molecules resulting from the hydrogen bonding between DBT and solvent made an important contribution to the formation of a lamellar structure. The results demonstrate that solvents could affect the molecular self-assembly according to the variational intermolecular interactions.

Name: 4,7-dibroMo-5,6-dinitrobenzo[c][1,2,5]thiadiazole  

CAS NO: 76186-72-6

MF: C6Br2N4O4S

MW: 383.96

MP:198 °C(Solv: ethanol (64-17-5))

BP:418.3±40.0 °C(Predicted)

Density:2.468±0.06 g/cm3(Predicted)

Appearance: Yellow crystal powder

Purity: 98% min

Package: 25g, 100g, 500g, bulk package

Application: Intermediates

4,7-Dibromo-5,6-dinitrobenzo[c][1,2,5]thiadiazole has been extensively studied for its potential applications in a variety of scientific fields. It has been used as a catalyst in organic synthesis, as a reagent in medicinal chemistry, and as an additive in materials science. Additionally, it has been studied for its potential use in drug discovery and development, as well as its ability to act as a catalyst in various chemical reactions.

Other name:

4,7-dibromo-5,6-dinitro-2,1,3-benzothiadiazole;

2,1,3-Benzothiadiazole, 4,7-dibromo-5,6-dinitro-;

The pentafluorophenyl group is oriented at the 4,7-dibromo-5,6-dinitro-2,1,3-benzothiadiazole (DDBT) CAS NO: 76186-72-6  molecule. The molecule has two orientations with respect to the pentafluorophenyl group: "trans" and "cis". The difference in energy between these two orientations is small. 

The technique of molecular electrostatic potential can be used to determine the orientation of a molecule. This technique shows that there is no significant difference in interaction energies for DDBT  CAS NO: 76186-72-6 molecules with different orientations. 

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