In an article, author is Bandyopadhyay, I, once mentioned the application of 27655-40-9, Product Details of 27655-40-9, Name is Isoquinoline-5-sulfonic acid, molecular formula is C9H7NO3S, molecular weight is 209.2218, MDL number is MFCD00134089, category is isoquinoline. Now introduce a scientific discovery about this category.
Force field and assignment of the vibrational spectra of quinoline and isoquinoline – An ab initio study
The force field and vibrational spectra of quinoline and isoquinoline with Cs symmetry are studied at Hartree Fock level of theory using 6-31G** basis set. The scaled non-redundant local force constants and the corresponding scale factors obtained after fitting the ab initio vibrational frequencies of quinoline to the experimental ones are presented. The scale factors are transferred to predict the fundamentals of isoquinoline. The predicted numbers agree well with the experimental numbers. The force fields and vibrational spectra of naphthalene, quinoline and isoquinoline reveal that they are structurally similar.
If you are interested in 27655-40-9, you can contact me at any time and look forward to more communication. Product Details of 27655-40-9.
Reference:
Isoquinoline – Wikipedia,
,Isoquinoline | C9H7N – PubChem