Structure, conformations, and internal hydrogen bonding in gaseous 4-fluorobutan-1-ol. Gas-phase electron diffraction and ab initio study

M Trætteberg, AD Richardson, K Hedberg…

Index: Traetteberg, Marit; Richardson, Alan D.; Hedberg, Kenneth; Winter, Rolf W.; Gard, Gary L. Journal of Physical Chemistry A, 2001 , vol. 105, # 41 p. 9587 - 9594

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Citation Number: 5

Abstract

Excluding enantiomers, there are 14 possible rotomeric conformations of 4-fluorobutan-1-ol, of which two are capable of forming an internal OH⊙⊙⊙ F hydrogen bond. The composition of the gaseous system is of special interest because it is determined by the energies of the conformers which reflect the energies of the hydrogen bonds. We have investigated the conformational composition of the gaseous system and the molecular ...