A study of the possible and preferred site of protonation in 7-methyl-1,5,7-triazabicyclo[4,4,0]dec-5-ene by vibrational spectroscopic methods.
The normal co-ordinate analysis have been carried out for 7-methyl-1,5,7-triazabicyclo[4,4,0]dec-5-ene (MTBD) and its three possible protonated tautomeric forms. The calculations and measured infrared (IR) spectra are consistent with a tautomeric species in which the proton is attached to an imine nitrogen atom.
Brzezinski
B
B
Faculty of Chemistry, Adam Mickiewicz University, Poznań, Poland.
Schroeder
G
G
Rybachenko
V I
VI
Kozhevin
L I
LI
D001372:Aza Compounds / Q000737:chemistry*; D001643:Bridged Bicyclo Compounds / Q000737:chemistry*; D006146:Guanidines / Q000737:chemistry*; D008968:Molecular Conformation; D015394:Molecular Structure; D011522:Protons; D013055:Spectrophotometry, Infrared; D014732:Vibration
C432986:7-methyl-1,5,7-triazabicyclo(4,4,0)dec-5-ene; D001372:Aza Compounds; D001643:Bridged Bicyclo Compounds; D006146:Guanidines; D011522:Protons