The nuclear quadrupole hyperfine structure in rotational transitions of cis-1-chloro-2-fluoroethylene was measured for both Cl-35 and Cl-37 containing isotopomers in the millimeter-wave region. Near degeneracies of the 9(3,7) and 10(2,9) levels of (ClHC)-Cl-35=CFH and of the 19(9,10/11) and 17(10,7/8) levels of (ClHC)-Cl-37=CFH cause strong perturbations of the hyperfine patterns and give rise to perturbation-allowed DeltaJ = 2 and DeltaJ = 3 transitions. Lamb-dip measurements of such perturbed hyperfine patterns and of forbidden DeltaJ = +2 and perturbation-enhanced DeltaJ = 0 transitions of (ClHC)-Cl-35=CFH provided an accurate determination of chi (ab), the off-diagonal element of the inertial nuclear quadrupole tensor. For (ClHC)-Cl-37=CFH, chi (ab) was determined for the first time thanks to the observation of perturbed hyperfine patterns and of forbidden DeltaJ = +3 and DeltaJ = -2 transitions. Additional measurements of hyperfine structures led to improved values for the diagonal elements of the chi tensor of both Cl-35 and Cl-37. Moreover, the complete inertial nuclear quadrupole tensor was evaluated from the field gradient at the chlorine nucleus computed by using the Multi-Configuration Self-Consistent Field (MCSCF) approach and employing basis sets of triple-zeta quality: very good agreement with the experiment was obtained. (C) 2000 Academic Press.

Nuclear quadrupole tensors for Cl-35 and Cl-37 in cis-1-chloro-2-fluoroethylene obtained by detection of perturbation-allowed Delta J=2 and Delta J=3 transitions

GAMBI, Alberto
2000

Abstract

The nuclear quadrupole hyperfine structure in rotational transitions of cis-1-chloro-2-fluoroethylene was measured for both Cl-35 and Cl-37 containing isotopomers in the millimeter-wave region. Near degeneracies of the 9(3,7) and 10(2,9) levels of (ClHC)-Cl-35=CFH and of the 19(9,10/11) and 17(10,7/8) levels of (ClHC)-Cl-37=CFH cause strong perturbations of the hyperfine patterns and give rise to perturbation-allowed DeltaJ = 2 and DeltaJ = 3 transitions. Lamb-dip measurements of such perturbed hyperfine patterns and of forbidden DeltaJ = +2 and perturbation-enhanced DeltaJ = 0 transitions of (ClHC)-Cl-35=CFH provided an accurate determination of chi (ab), the off-diagonal element of the inertial nuclear quadrupole tensor. For (ClHC)-Cl-37=CFH, chi (ab) was determined for the first time thanks to the observation of perturbed hyperfine patterns and of forbidden DeltaJ = +3 and DeltaJ = -2 transitions. Additional measurements of hyperfine structures led to improved values for the diagonal elements of the chi tensor of both Cl-35 and Cl-37. Moreover, the complete inertial nuclear quadrupole tensor was evaluated from the field gradient at the chlorine nucleus computed by using the Multi-Configuration Self-Consistent Field (MCSCF) approach and employing basis sets of triple-zeta quality: very good agreement with the experiment was obtained. (C) 2000 Academic Press.
File in questo prodotto:
File Dimensione Formato  
jmsp204.pdf

non disponibili

Tipologia: Altro materiale allegato
Licenza: Non pubblico
Dimensione 143.57 kB
Formato Adobe PDF
143.57 kB Adobe PDF   Visualizza/Apri   Richiedi una copia

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/11390/686954
 Attenzione

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

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 11
  • ???jsp.display-item.citation.isi??? 11
social impact