Molecular dynamics of cis-1-(2-hydroxy-5- methylphenyl)ethanone oxime and N-(2-hydroxy-4-methylphenyl)acetamide in solution studied by NMR spectroscopy.
The formation of hydrogen bonds and molecular dynamics for the molecules cis-1-(2-hydroxy-5-methylphenyl)ethanone oxime (I) and N-(2-hydroxy-4-methylphenyl)acetamide (II) have been investigated in solution using NMR. The results confirm the formation of O-H...O, O-H...N and O...H-N type inter- and intramolecular hydrogen bonds. Spin-lattice relaxation times (T(1)), activation energy of molecular dynamics and energy of intramolecular hydrogen bonds have been determined.
Mamedov
Ibrahim Garib
IG
Chemical Faculty, NMR Laboratory, Baku State University, Baku, Azerbaijan. ib.nmrlab@list.ru
Eichhoff
Uwe
U
Maharramov
Abel Mammadali
AM
Bayramov
Musa Rza
MR
Mamedova
Yegana Vagif
YV
D044482:Benzeneacetamides / Q000737:chemistry*; D006860:Hydrogen Bonding; D009682:Magnetic Resonance Spectroscopy; D056004:Molecular Dynamics Simulation; D015394:Molecular Structure; D010091:Oximes / Q000737:chemistry*; D010636:Phenols / Q000737:chemistry*; D012015:Reference Standards; D012996:Solutions
C555107:1-(2-hydroxy-5-methylphenyl)ethanone oxime; D044482:Benzeneacetamides; C555108:N-(2-hydroxy-4-methylphenyl)acetamide; D010091:Oximes; D010636:Phenols; D012996:Solutions