Synthetic Route of 103-85-5, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C¨CH bond functionalisation has revolutionised modern synthetic chemistry. 103-85-5, Name is 1-Phenylthiourea, SMILES is S=C(N)NC1=CC=CC=C1, belongs to pyridazines compound. In a article, author is Song, Yao-Dong, introduce new discover of the category.
Constructing a novel nonlinear optical materials: substituents and heteroatoms in pi-pi systems effect on the first hyperpolarizability
By doping pi-pi systems with Li atom, a series of Li@sandwich configuration and Li@T-shaped configuration compounds have been theoretically designed and investigated using density functional theory. It is revealed that energy gaps (E (gap)) between highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of all compounds are in a range of 0.4-0.9 ev. When Li atom is introduced into different sandwich configuration pi-pi systems (C-60-toluene, C-60-fluorobenzene, C-60-phenol, C-60-benzonitrile), Li@C-60-benzonitrile exhibits considerable first hyperpolarizability as large as 19,759 au, which is larger by about 18,372-18,664 au than those of other compounds. When Li atom is introduced into different T-shaped configuration pi-pi systems (C-60-pyridine, C-60-pyrazine, C-60-1, 3, 5-triazine, C-60-pyridazine), Li@C-60-pyridazine is found to present largest first hyperpolarizability up to 67,945 au in all compounds. All compounds are transparency in the deep ultraviolet spectrum range. We hope that this study could provide a new idea for designing nonlinear optical materials using pi-pi systems as building blocks.
Synthetic Route of 103-85-5, One of the oldest and most widely used commercial enzyme inhibitors is aspirin, which selectively inhibits one of the enzymes involved in the synthesis of molecules that trigger inflammation. you can also check out more blogs about 103-85-5.
Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem