The millimeter wave spectrum of the Ar–CHF3 complex is measured. The microwave lines are split into two components due to tunneling between three equivalent minima. Aided by ab initio calculations, the bidimensional potential energy surface of the complex is investigated and the rotational dependence of the tunneling splitting is parameterized using an IAM-like approach. The analysis of the microwave data allows us to determine the parameters involved in this rotational dependence. The value obtained are consistent with a large amplitude motion involving a 2p=3 internal rotation of the CHF3 moiety about its threefold axis of symmetry. Information about the geometry of the intermediate configuration of this large amplitude motions is obtained

L.H. Coudert, W. Caminati, A. Maris, P. Ottaviani (2010). Tunneling motions in the Ar–CHF3 complex. JOURNAL OF MOLECULAR SPECTROSCOPY, 261, 18-27 [10.1016/j.jms.2010.02.003].

Tunneling motions in the Ar–CHF3 complex

CAMINATI, WALTHER;MARIS, ASSIMO;OTTAVIANI, PAOLO
2010

Abstract

The millimeter wave spectrum of the Ar–CHF3 complex is measured. The microwave lines are split into two components due to tunneling between three equivalent minima. Aided by ab initio calculations, the bidimensional potential energy surface of the complex is investigated and the rotational dependence of the tunneling splitting is parameterized using an IAM-like approach. The analysis of the microwave data allows us to determine the parameters involved in this rotational dependence. The value obtained are consistent with a large amplitude motion involving a 2p=3 internal rotation of the CHF3 moiety about its threefold axis of symmetry. Information about the geometry of the intermediate configuration of this large amplitude motions is obtained
2010
L.H. Coudert, W. Caminati, A. Maris, P. Ottaviani (2010). Tunneling motions in the Ar–CHF3 complex. JOURNAL OF MOLECULAR SPECTROSCOPY, 261, 18-27 [10.1016/j.jms.2010.02.003].
L.H. Coudert; W. Caminati; A. Maris; P. Ottaviani
File in questo prodotto:
Eventuali allegati, non sono esposti

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/96587
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 6
  • ???jsp.display-item.citation.isi??? 7
social impact