Abstract book - Prof. Per Jensen, Ph.D. - Bergische Universität ...

78 Poster session, D31Coriolis Analysis of Several High Resolution Infrared Bands ofBicyclo[1.1.1]pentane-d 0 and –d 1Adam Perry 1 , Matthew A. Martin 1 , Joseph W. Nibler 1 , Arthur Maki 2 , AlfonsWeber 3 , and Thomas A. Blake 41 Oregon State University, U.S.A., joseph.nibler@orst.edu; 2 15012 24 th Ave., MillCreek, WA U.S.A., amaki1@compuserve.com; 3 National Institute of Standardsand Technology, U.S.A., aweber@nist.gov;4 Pacific Northwest NationalLaboratory, U.S.A., ta.blake@pnl.govPerry A.Martin M.A.Nibler J.W.Maki A.Weber A.Blake T.A.Our previous work 1 on bicyclo[1.1.1]pentane (C 5H 8) was devoted to the determination ofthe ground state constants of this molecule from measurements on four differentfundamental vibrations: ν 14(e′), at 540 cm -1 , ν 17(a 2″) at 1220 cm -1 , ν 18(a 2″) at 832 cm -1and ν 11(e′) band at 1232 cm -1 . In the course of this work it was found that the upper statelevels of the ν 14 band are unperturbed but the ν 17 (a 2 ″) and ν 18 (a 2 ″) bands showedevidence of weak and strong Coriolis interactions with nearby levels of the ν 11(e′) andν 13(e′) fundamentals, respectively. We here present the analysis of these Coriolisinteractions and also derive rovibrational parameters for the less intense bands. Inaddition, the mono-deuterated isotopologue (C 5 H 7 D) of bicyclopentane was synthesized(with the D atom on the C 3 symmetry axis) and its infrared spectrum was recorded at aresolution of 0.002 cm -1 and analyzed. This work on bicyclopentane is an outgrowth ofour earlier work on [1.1.1]propellane 2,3 and provides experimental data to betterunderstand the bonding and properties of these small ring-strained molecules. All threemolecules are symmetric tops and their structures are shown in the figure below.References[1] R . Kirkpatrick, T. Masiello, N. Yariyasopit, A.Weber, J.W. Nibler, A. Maki, Th.A. Blake, and Th. Hubler, J. Molec. Spectrosc. 248 (2008) 153-160.[2] R. Kirkpatrick, T. Masiello, N. Yariyasopit, J.W. Nibler, A. Maki, Th.A. Blake, and A. Weber, J. Molec. Spectrosc. 253 (2009) 41-50.[3] M.A. Martin, A. Perry, T. Masiello, K. Schwartz, J.W. Nibler, A. Weber, A.Maki, and T.A. Blake. J. Molec. Spectrosc. 262 (2010) 42-48.