## Abstract

Pulsed-beam Fourier transform microwave spectroscopy was used to measure a and b dipole transitions for the N_{2}O-H^{35}Cl, N _{2}O-H^{37}Cl, N_{2}O-D^{35}Cl, and ^{15}NNO-H^{35}Cl van der Waals complexes. The observed transition frequencies were fit to determine the spectroscopic constants A-D_{K}, B, C, D_{j}, D_{JK}, eQq_{aa}(Cl), and eQq_{bb}(Cl). The structure of the complex appears to be a planar asymmetric top with a centers-of-mass separation R_{c.m.}- ≈ 3.51 Å. The angle θ between R_{c.m.} and the HCl axis is approximately 110°. The angle φ between the N_{2}O axis and R_{c.m.} is approximately 77°. The structure was fit using a weighted least squares fit to B and C isotopic rotational constants with R _{c.m.} θ, and φ as the adjustable parameters, and this procedure yielded three local minima with standard deviations less than 5 MHz. Principal axis coordinates for the Cl, H, and terminal N atoms in the complex were determined with single isotopic Kraitchman analysis to aid in the selection of the "best" structure. In a second structural analysis R _{c.m.} θ, and φ values were determined from the spectroscopic constants B, C, and eQq_{aa}(Cl). The "best fit" structure parameters for N_{2}O-HCl are R_{c.m.} = 3.512(2) Å, θ = 110(9)°, and θ = 77(2)°. Ab initioa calculations of N_{2}O-HCl structures using GAUSSIAN86 with MP2 yielded three energetically stable equilibrium conformations. One of the bound structures is very similar to the present experimental vibrationally averaged structure.

Original language | English (US) |
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Pages (from-to) | 899-907 |

Number of pages | 9 |

Journal | The Journal of Chemical Physics |

Volume | 94 |

Issue number | 2 |

DOIs | |

State | Published - Jan 1 1991 |

## ASJC Scopus subject areas

- Physics and Astronomy(all)
- Physical and Theoretical Chemistry