CONFORMATION AND STABILITY OF ADDUCTS OF CYCLIC AMMINES WITH WATER - FREE JET ABSORPTION MILLIMETER-WAVE SPECTRUM OF PYRROLIDINE-WATER

Citation
W. Caminati et al., CONFORMATION AND STABILITY OF ADDUCTS OF CYCLIC AMMINES WITH WATER - FREE JET ABSORPTION MILLIMETER-WAVE SPECTRUM OF PYRROLIDINE-WATER, Journal of the American Chemical Society, 120(11), 1998, pp. 2616-2621
Citations number
44
Categorie Soggetti
Chemistry
ISSN journal
00027863
Volume
120
Issue
11
Year of publication
1998
Pages
2616 - 2621
Database
ISI
SICI code
0002-7863(1998)120:11<2616:CASOAO>2.0.ZU;2-A
Abstract
The free jet millimeter wave absorption spectra of the 1:1 complexes b etween two isotopomers of pyrrolidine (normal and N-D) and four isotop omers of water (H2O, HOD, D2O, and (H2O)-O-18) have been assigned. Alt hough only the rotational spectrum of axial-pyrrolidine has been previ ously reported, the adduct is formed with equatorial-pyrrolidine. The water molecule lies in the plane of symmetry of pyrrolidine; the water hydrogen involved in the hydrogen bond is axial with respect to the r ing, while the ''free'' hydrogen is entgegen to the ring. The three at oms involved in the hydrogen bond adopt a bent arrangement with a N-ri ng... H distance of about 1.89 Angstrom and angle(N-ring... H-O) congr uent to 163 degrees.