Supersonic jet studies of alkyl-substituted pyrazines and pyridines. Minimum-energy conformations and torsional motion

JI Seeman, JB Paine III, HV Secor, HS Im…

Index: Seeman, Jeffey I.; Paine III, John B.; Secor, Henry V.; Im, Hoong-Sun; Bernstein Journal of the American Chemical Society, 1992 , vol. 114, # 13 p. 5269 - 5280

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Citation Number: 24

Abstract

Abstract Conformational preferences for methyl-, ethyl-, propyl-, and isopropyl-substituted pyrazines and pyridines are determined by mass resolved excitation spectroscopy (MRES) and MOPAC 51PM3 semiempirical calculations. The results of these studies suggest that the conformational behavior of alkyl-substituted pyrazines and pyridines is different from that of alkyl-substituted benzenes. Based on the experimental and semiempirical theoretical ...