Isabelle Kleiner博士 講演会
演題 ：「Spectroscopic studies of astrophysical and biological molecules with internal rotation」
講師 ：Laboratoire Interuniversitaire des Systemes Atmospheriques (LISA), CNRS,フランス Isabelle Kleiner 博士
日時 ：2011年9月12日（月） 16:00-17:00
世話人 ：理学部化学科 川口建太郎（251-7848，e-mail: email@example.com）
This talk is concerned with the contributions of high resolution spectroscopy to the study of small molecules of astrophysical and biological interest. One of the goals of our work is to provide reliable predictions of line positions and intensities for astrophysical molecules containing one internal rotor CH3, such as methyl formate HCOOCH3, acetic acid CH3COOH, or acetamide CH3CONH2. The major new facilities, the Herschel Space Observatory and the Atacama Large Millimeter Array (ALMA) now open the sub-millimeter region up to a few THz for astronomical observations by making investigations with high sensitivity and resolution. Molecules which undergo internal rotation of a methyl group present thousands of lines in this spectral range and therefore their spectra are particularly important to model. We will show some of the recent results on acetamide and on the methyl formate isotopologues. Another goal is to get some knowledge of the properties of "elementary blocks" or "biomimetic molecules" (such as amino acids, peptides, nucleic acids, sugars etc…) to improve the prediction of the structure and the function of larger biomolecules. Fourier transform microwave spectroscopy in the gas phase coupled with high level quantum chemical calculations has recently led to the precise and detailed determination of molecular structures for the lowest energy conformers of a number of molecules. In this talk, we will show results from molecules which can be considered as prototypes of the peptide bonding, such as the N-acetyl alanine methyl ester molecule CH3C(=O)NHCH(CH3)C(=O)OCH3. We will also present recent results for the study of a two-top internal rotor, the methyl acetate molecule CH3-O-C(=O)-CH3, for which a new program has been written.