Author/Authors :
Cocinero، نويسنده , , Emilio J. and Villanueva، نويسنده , , Pablo and Lesarri، نويسنده , , Alberto and Sanz، نويسنده , , M. Eugenia and Blanco، نويسنده , , Susana and Mata، نويسنده , , Santiago and Lَpez-Moreno، نويسنده , , Juan C. and Alonso، نويسنده , , José L.، نويسنده ,
Abstract :
The neutral form of the non-coded amino acid sarcosine (N-methylglycine) has been studied in the gas phase using laser-ablation molecular-beam Fourier transform microwave (LA-MB-FTMW) spectroscopy. Two conformers have been unequivocally identified by comparing the experimental values of rotational and quadrupole coupling constants with those predicted by ab initio calculations at the MP2/6-311++G(d,p) level. The most stable conformer is stabilized by an intramolecular hydrogen bond N–H⋯OC and a cis-COOH arrangement, whereas the second conformer exhibits an intramolecular hydrogen bond N⋯H–O and trans-COOH. The conformational behaviour of sarcosine is discussed in the context of those of glycine and N,N-dimethylglycine.
