Enhancing effects of the cyano group on the c-xn hydrogen or halogen bond in complexes of x-cyanomethanes with trimethyl amine: ch3-n(cn)nxnme3, (n = 0-3;x = h, cl, br, i)

HIGHLIGHTS

• who: Rubu00e9n D. Parra and Su0142awomir J. Grabowski from the Department of Chemistry and Biochemistry, DePaul University, Chicago, IL, USA have published the research work: Enhancing Effects of the Cyano Group on the C-XN Hydrogen or Halogen Bond in Complexes of X-Cyanomethanes with Trimethyl Amine: CH3-n(CN)nXNMe3, (n = 0-3;X = H, Cl, Br, I), in the Journal: (JOURNAL)
• what: In this paper density functional theory and wave function theory calculations are carried out to investigate the strength and nature of the intermolecular C-Xu00b7u00b7u00b7N bond interaction as a function of . . .
  

   

  

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