## Files in this item

Files | Description | Format |
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application/vnd.openxmlformats-officedocument.presentationml.presentation 348650.pptx (6MB) | Presentation | Microsoft PowerPoint 2007 |

application/pdf 950.pdf (21kB) | Abstract |

## Description

Title: | (CH3)3N···AgI and H3N···AgI studied by broadband rotational spectroscopy and ab initio calculations |

Author(s): | Bittner, Dror M. |

Contributor(s): | Legon, Anthony; Walker, Nick; Stephens, Susanna L.; Zaleski, Daniel P. |

Subject(s): | Metal containing |

Abstract: | The pure rotational spectra of 8 isotopologues of H$_{3}$N$cdot$$cdot$$cdot$AgI and 6 isotopologues of (C{H$_{3}$})$_{3}$N$cdot$$cdot$$cdot$AgI were measured in a chirped pulse Fourier-transform microwave spectrometer. The complexes were synthesized in a molecular beam from a gas sample containing H$_{3}$N or (C{H$_{3}$})$_{3}$N and CF$_{3}$I precursors diluted in argon. Laser ablation was used to introduce silver atoms to the gas phase. The rotational constant textit{B}$_{0}$, centrifugal distortion constants textit{D}$_{J}$ and textit{D}$_{JK}$, and the nuclear quadrupole coupling constant $chi$$_{aa}$(I) have been determined for (C{H$_{3}$})$_{3}$$^{14/15}$N$cdot$$cdot$$cdot$$^{107/109}$AgI, (C{D$_{3}$})$_{3}$N$cdot$$cdot$$cdot$$^{107/109}$AgI, H$_{3}$$^{14/15}$N$cdot$$cdot$$cdot$$^{107/109}$AgI and D$_{3}$N$cdot$$cdot$$cdot$$^{107/109}$AgI by fitting the measured transitions to a symmetric top Hamiltonian. The spectroscopic constants (textit{B}$_{0}$+ textit{C}$_{0}$), $Delta$$_{J}$ and $chi$$_{aa}$(I) have been determined for D$_{2}$HN$cdot$$cdot$$cdot$$^{107/109}$AgI through fits that employed a Hamiltonian appropriate for a very near prolate asymmetric rotor. Partial effective (textit{r}$_{0}$) and substitution (textit{r}$_{s}$) structures have been determined. |

Issue Date: | 25-Jun-15 |

Publisher: | International Symposium on Molecular Spectroscopy |

Citation Info: | ACS |

Genre: | Conference Paper / Presentation |

Type: | Text |

Language: | English |

URI: | http://hdl.handle.net/2142/79072 |

Date Available in IDEALS: | 2016-01-05 |