Rotational barriers in n-benzhydrylformamides: an nmr and dft study

HIGHLIGHTS

• who: Madina Zh. Sadvakassova and collaborators from the Department of Chemistry, LNGumilyov Eurasian National University, Astana, Kazakhstan Kizhner Research Center, Tomsk Polytechnic University, Tomsk, Russia have published the paper: Rotational Barriers in N-Benzhydrylformamides: An NMR and DFT Study, in the Journal: Molecules 2023, 535 of /2023/
• what: The authors studied the effect of substituents of the same type in the benzhydryl fragment on the conformational behavior and electronic structure of some pharmacologically active benzhydrylformamides.
• how: The 6-311+G* basis set is not defined for bromine and iodine hence for these atoms . . .
  

   

  

  If you want to have access to all the content you need to log in!

  Thanks :)

  Username or E-mail:

  If you don't have an account, you can create one here.