Related Products of 5469-69-2, As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 5469-69-2, Name is 3-Amino-6-chloropyridazine, SMILES is C1=C(N=NC(=C1)Cl)N, belongs to pyridazines compound. In a article, author is Mondal, Avijit, introduce new discover of the category.
Second hyperpolarizability of diffuse-electron compounds M-NH3, M-NLi3 and M-NLi3-M of alkaline earth metals: Effect of lithiation
Present investigation demonstrates that push electron effect of nitrogen in M center dot center dot center dot NH3 is reduced rather than enhanced upon lithiation which has been explained by natural bond orbital analysis showing that nitrogen atom in NLi3 changes it’s state of hybridization from sp(3) to sp(2) leaving the 2p(z), orbital partially occupied. This makes NLi3 a weak acceptor of electrons from alkaline earth metals. When the second alkaline earth metal is introduced the 2p(z), orbital of nitrogen attains the maximum occupation as a result of cumulative charge transfer from two metal atoms. However, the push electron effect still operates resulting in the diffuse electron localized over the metals. Large enhancement of second hyperpolarizability (10(6) au) in M center dot center dot center dot NLi3 has been rationalized by its low lying intense transitions. Effect of basis set on the second hyperpolarizability has been studied at the CCSD level which showed that Sadlej’s pol and 6-311++G(3df,3pd) basis sets give comparable results that are obtained for the aug-cc-pVTZ basis set. The results of second hyperpolarizability calculated by using different OFT functionals are found to be consistent with the CCSD results obtained for the aug-cc-pVTZ basis set. (C) 2019 Elsevier Inc. All rights reserved.
Related Products of 5469-69-2, Consequently, the presence of a catalyst will permit a system to reach equilibrium more quickly, but it has no effect on the position of the equilibrium as reflected in the value of its equilibrium constant.I hope my blog about 5469-69-2 is helpful to your research.
Reference:
Pyridazine – Wikipedia,
,Pyridazine | C4H4N2 – PubChem