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

126 Poster session, H13From succinic acid to succinic anhydride:Analysis of the rotational spectraMichaela K. Jahn 1 , K.P.Rajappan Nair 1 , Jens-Uwe Grabow 1 , Peter D. Godfrey 2 ,Don McNaughton 2 , Alberto Lesarri 3 , Patricia Écija 4 , Estibaliz Méndez 4 , FranciscoJ. Basterretxea 4 , Fernando Castaño 4 , Emilio J. Cocinero 4 , Natalja Vogt 5 , JürgenVogt 51 Gottfried-Wilhelm-Leibinz-Universität,Institut für Physikalische Chemie &Elektrochemie, Germany,michaela.jahn@pci.uni-hannover.de; 2 School of Chemistry,Monash University, Australia; 3 Universidad de Valladolid, Departamento de QuimicaFisica y Quimica Inorgánica, Spain, 4 Universidad del País Vasco, Departamento deQuimica Fisica, Spain, 5 Universität Ulm,Chemieinformationssysteme, GermanyHOOOOH-H 2 OOOOJahn M.K.Nair K.P.R.Grabow J.-U.Godfrey P.D.McNaughton D.Lesarri A.Ecija P.Mendez E.Basterretxea F.J.Castano F.Cocinero E.J.Vogt N.Vogt J.Succinic acid is an intermediate of the citric acid cycle and used for decades in the foodindustry as a flavour enhancer. Furthermore it has a strong potential as a future platformchemical 1 , which can be derived from renewable resources. Thus it represents a buildingblock for a large variety of chemicals that can be produced straight forward byconversion. The US Department of Energy 2 reports 2010 succinic acid as one of the Top10 bio-based products with research need. To get a better understanding of thisinteresting molecule it is necessary to investigate the chemical structure. This isachieved by supersonic-jet Fourier-transform microwave spectroscopy enhanced byfree-jet millimetre wave absorption spectroscopy in combination with quantumchemical methods. In the process of studying succinic acid, succinic anhydride was alsoencountered: Under experimental conditions the acid decomposes into thecorresponding anhydride, resulting in a very congested spectrum. Gas phase electrondiffraction structures have been obtained for both molecules 3,4 but rotational studieswere still missing. Just recently, we determined the semi-rigid rotor spectroscopic andspin-rotation interaction constants as well as a precise structural characterization forboth molecules via measuring all their isotopologs.References[1] I. Bechthold, K. Bretz, S. Kabasci, R. Kopitzky, A. Springer, Chem. Eng. Technol.31, 647, 2008[2] J. Bozell, G. Petersen, Green Chem. 12, 539, 2010.[3] N. Vogt, M. A. Abaev , A. N. Rykov, et al., J. Mol. Struct. 996, 120, 2011.[4]K. Brendau, M. Kolderup, H. M. Seip, Act. Chem. Scand. 27, 1101, 1973.