Počet záznamů: 1

Infrared–optical double resonance spectroscopic measurements and high level ab initio calculations on a binary complex between phenylacetylene and borane-trimethylamine. Understanding the role of C–H_ _ _p interactions

  1. 1.
    0332929 - UOCHB-X 2010 RIV GB eng J - Článek v odborném periodiku
    Maity, S. - Sedlák, Robert - Hobza, Pavel - Patwari, G. N.
    Infrared–optical double resonance spectroscopic measurements and high level ab initio calculations on a binary complex between phenylacetylene and borane-trimethylamine. Understanding the role of C–H_ _ _p interactions.
    Physical Chemistry Chemical Physics. Roč. 11, č. 42 (2009), s. 9738-9743 ISSN 1463-9076
    Grant CEP: GA MŠk LC512
    Výzkumný záměr: CEZ:AV0Z40550506
    Klíčová slova: IR-UV spectroscopy * ab initio calculations * phenylacetylene * borane-trimethylamine
    Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
    Impakt faktor: 4.116, rok: 2009

    The structure of the binary complex between phenylacetylene and borane-trimethylamine has been elucidated using IR-UV double resonance spectroscopy in combination with high level ab initio calculations at the CCSD(T) level. Borane-trimethylamine interacts primarily through multiple C–H_ _ _p interactions with the p electron density of the benzene ring in phenylacetylene.
    Trvalý link: http://hdl.handle.net/11104/0178042