4.5 Article

Experimental and Theoretical Study of the Broadening and Shifting of N2H+ Rotational Lines by Helium

Journal

CHEMPHYSCHEM
Volume 11, Issue 14, Pages 3141-3145

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.201000230

Keywords

ab initio calculations; cluster compounds; helium; hyperfine effects; rotational spectroscopy

Funding

  1. MIUR
  2. University of Bologna
  3. Schweizerischer Nationalfonds [200021-117810]

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Pressure broadening and pressure shift of N2H+ rotational lines perturbed by collisions with He are studied for the first time using experiment and theory. Results are reported from measurements at 88 K for the rotational transitions j = 3 <- 2, 4 <- 3, 5 <- 4 and 6 <- 5 with frequencies raging from 0.28 to 0.56 THz. The agreement between experiment and theoretical data derived from close coupling calculations confirms the reliability of a theoretical framework used for state-to-state transition rates of interest in the interpretation of spectroscopic data from interstellar molecular clouds. The influence of hyperfine effects on shifts and widths of the rotational lines is discussed in detail. Although in principle possible, experiment and theoretical considerations lead to the conclusion that hyperfine effects only play a minor role.

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