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The electronic structure of a diarsaallene –As=C=As– and a phosphaarsaallene –P=C=As–: UV photoelectron spectroscopy and theoretical studies |
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| Authors: | Karinne Miqueu, Jean-Marc Sotiropoulos, Patrick Bayl re, Sylvie Joant guy, Genevi ve Pfister-Guillouzo, Henri Ranaivonjatovo, Jean Escudi ,Mereyim Bouslikhane |
| Affiliation: | a Laboratoire de Chimie Théorique et Physico-Chimie Moléculaire du CNRS (UMR 5624) Université de Pau et des Pays de l'Adour Avenue de l' Université, BP 1155 F-64013 Pau, Cedex, France b Laboratoire d'Hétérochimie Fondamentale et Appliquée du CNRS (UMR 5069) Université Paul Sabatier, 118 route de Narbonne, F-31062 Toulouse, Cedex 04, France |
| Abstract: | The electronic properties of a diarsaallene ArAs=C=AsAr and a phosphaarsaallene ArP=C=AsAr (Ar: 2,4,6-tri-tert-butylphenyl) have been investigated by using UV photoelectron spectroscopy and by density functional calculations on model compounds [(CH3)2C6H3Pn=C=AsC6H3(CH3)2, Pn: As, P]. Moreover, a comparison of the geometrical and electronic structures of the parent heteroallenes with those of the arsaethene H2C=AsH and phosphaethene H2C=PH has also been undertaken in order to determine the magnitude of the interaction between the π bond and the pnictogen lone pair nPn. |
| Keywords: | Diarsaallene Phosphaarsaallene UV photoelectron spectroscopy DFT calculations |
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