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Issue 17, 2001
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Rotational spectroscopy of C-cyanophosphaethyne, NCCP, in states of multiple vibrational excitation

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Abstract

The rotational spectrum of the unstable NCCP molecule has been investigated in the millimetre-wave region for all the levels of multiple vibrational excitation below 1200 cm−1. More than 600 rotational transitions in the J range from 19 to 39 have been measured and assigned to 13 new vibrational states derived from excitation of the two bending modes [italic v (to differentiate from Times ital nu)]4 and [italic v (to differentiate from Times ital nu)]5 and of the low-energy stretching mode [italic v (to differentiate from Times ital nu)]3 . Transitions up to J = 141 have been included in the fit for [italic v (to differentiate from Times ital nu)]3 = 1 yielding a precise value for the sextic centrifugal distortion constant. Vibrational and rotational l-type resonance effects have been taken into account in the analyses of the observed spectra together with the anharmonic interactions which originate from the normal coordinate force constants k345, k344, k35555 and k34555. The simultaneous analyses of the rotational spectra of the interacting levels have yielded sets of spectroscopic constants with unambiguous physical meaning, including the unperturbed value of the α3 vibration–rotation coupling constant, and the xL(44), xL(55) and xL(45) anharmonic constants.

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Publication details

The article was received on 26 Mar 2001, accepted on 25 Jun 2001 and first published on 01 Aug 2001


Article type: Paper
DOI: 10.1039/B102775C
Citation: Phys. Chem. Chem. Phys., 2001,3, 3490-3498
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    Rotational spectroscopy of C-cyanophosphaethyne, NCCP, in states of multiple vibrational excitation

    L. Bizzocchi, C. Degli Esposti, S. Thorwirth, H. S. P. Müller, F. Lewen and G. Winnewisser, Phys. Chem. Chem. Phys., 2001, 3, 3490
    DOI: 10.1039/B102775C

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