Holger Lichau

University of Cologne

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Manfred Winnewisser

The Ohio State University

Sven Thorwirth

University of Cologne

Brenda P. Winnewisser

The Ohio State University

Stephen C. Ross

University of New Brunswick

R. M. Lees

University of New Brunswick

Adriana Predoi−Cross

Athabasca University

J. Z. Gillies

Siena College

C. W. Gillies

Rensselaer Polytechnic Institute

Frank C. De Lucia

The Ohio State University

Matthew S. Walsh

Mass General Brigham

Cooperative Institutions

University of Cologne

University of New Brunswick

The Ohio State University

Centre National de la Recherche Scientifique

University of Giessen

Harvard University

Jet Propulsion Laboratory

Center for Astrophysics Harvard & Smithsonian

Johannes Gutenberg University Mainz

Institute of Radio Astronomy

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THE ROTATIONAL AND ROTATION VIBRATIONAL SPECTRUM OF $C_{3}OS$ IN HIGHLY EXCITED STATES OF THE LOWEST-LYING BENDING MODE $\nu_{7}$

Holger Lichau V. Wagener Manfred Winnewisser Frank J. Wolf

$^{h}$V. Wagener, M. Winnewisser, and M. Bellini, J. Mol. Spectrosc. \textbf{176}, 425-438 (1996) $^{i}$M. Winnewisser, E. W. Peau, K. Yamada, and J. J. Christiansen, Z. Naturforsch. \textbf{36a}, 819-830 (1981)

Lying

Rotational spectrum

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VizieR Online Data Catalog: Vinylacetylene millimeter-wave spectrum (Thorwirth+, 2003)

VizieR Online Data Catalog (2002)

Sven Thorwirth Holger Lichau

Extremely high frequency

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The millimeter-wave spectrum and the dipole moment of vinylacetylene

Astronomy and Astrophysics (2003)

Sven Thorwirth Holger Lichau

The pure rotational spectrum of the hydrocarbon vinylacetylene (1-butene-3-yne, ) in its ground vibrational state has been investigated from 80 to 165 GHz, covering the rotational quantum numbers and , in order to provide accurate rest frequencies for radioastronomical searches. Moreover, quantum chemical calculations of the dipole moment components and have been performed leading to the result D. The value for the dipole moment component is very low and lies in the range of several thousandth to a few hundredth of a Debeye.

10.1051/0004-6361:20021849

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On the Low-Lying CCN Bending Mode of the Nearly Linear Molecule NCCNO

The Journal of Physical Chemistry A (2001)

Holger Lichau Stephen C. Ross Michael Lock Sieghard Albert Brenda P. Winnewisser

The low-lying CCN bending mode of cyanofulminate, NCCNO, was characterized by rotational spectroscopy in the millimeter-wave and submillimeter-wave range as well as by rovibrational spectroscopy in the far-infrared range. The spectra exhibit the gross features of a linear molecule. However, a closer qualitative analysis regarding the low-lying CCN bending mode revealed significant deviations from a harmonic bending mode that is normally found in a linear molecule. This result was confirmed by a quantitative analysis of the combined data with an effective Hamiltonian for a linear molecule. In linear molecule notation, the term value of the first excited state ν7 is 80.524 182 (10) cm-1, and the term values for the l7 = 0 and l7 = 2 levels of the second excited state 2ν7 are 166.118 254 (16) and 164.604 243 (22) cm-1. A semirigid bender analysis of our data, including rotational transitions of the isotopomers 15NCCNO, N13CCNO, NCC15NO, and NCCN18O observed in natural abundance, yielded a considerable quartic contribution to the effective CCN bending potential function V(ρ)/cm-1 = 747.40 (81) × (ρ/rad)2 + 959.2 (24) × (ρ/rad)4.

Linear molecular geometry

10.1021/jp012068m

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MILLIMETER-WAVE SPECTRA OF $CH_{3}$ OH AND $CH_{3}{^{18}OH$

Adriana Predoi−Cross Manfred Winnewisser Holger Lichau Li-Hong Xu Matthew S. Walsh

$^{a}$M.S. Walsh Li-Hong Xu and R.M. Lees, to be presented at this conference $^{b}$J. O. Henningsen J, Mol. Spectrosc. 85, 282-300 (1981)

Extremely high frequency

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THE QUASILINEAR NATURE OF SOME SIMPLE COVALENT FULMINATES XCNO, AS REVEALED BY ROTATIONAL SPECTROSCOPY IN THE MMW RANGE

Holger Lichau Brenda P. Winnewisser Manfred Winnewisser C. W. Gillies J. Z. Gillies

$^{a}$ C.W. Gillies, J.Z. Gillies, H. Lichau, B.P. Winnewisser, and M. Winnewisser, Chem. Phys. Lett., accepted for publication

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The submillimeter wave spectrum of the C4H4 isomer vinylacetylene

Journal of Molecular Structure (2004)

Sven Thorwirth H. S. P. Müller Holger Lichau G. Winnewisser Georg Ch. Mellau

10.1016/j.molstruc.2004.01.002

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THE LOW-LYING XCN BENDING MODES OF THE QUASILINEAR MOLECULES ClCNO AND BrCNO

Stephen C. Ross Holger Lichau Brenda P. Winnewisser Manfred Winnewisser

$^{a}$ C.W. Gillies, J.Z. Gillies, H. Lichau, B.P. Winnewisser, and M. Winnewisser, Chem. Phys. Lett. 285, 391-397 (1998) $^{b}$ H. Lichau, B.P. Winnewisser, M. Winnewisser, C.W. Gillies, and J.Z. Gillies, $53^{rd}$ Int. Symposium, talk TH09 (1998) $^{c}$ T. Barrow, R.N. Dixon, and G. Duxbury, Mol. Phys. 27, 1217-1234 (1974) $^{d}$ K.M.T. Yamada and M. Winnewisser, Z. Naturforsch. 31a, 139-144 (1976)

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New Measurements and Assignments in the Millimeter-Wave Spectrum of CD3OH

Journal of Molecular Spectroscopy (1998)

Adriana Predoi−Cross Li‐Hong Xu Matthew S. Walsh R. M. Lees Manfred Winnewisser

Extremely high frequency

Molecular spectroscopy

Submillimeter wave

Rotational spectrum

10.1006/jmsp.1997.7504

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On the Anharmonic XCN Bending Modes of the Quasilinear Molecules BrCNO and ClCNO

The Journal of Physical Chemistry A (2001)

Holger Lichau C. W. Gillies J. Z. Gillies Stephen C. Ross Brenda P. Winnewisser

The millimeter-wave spectra of the unstable halofulminates BrCNO and ClCNO were recorded at room temperature in several frequency intervals between 52 and 230 GHz. Besides rotational transitions in the vibrational ground state, transitions in numerous thermally excited states of the XCN bending mode (X = Br or Cl) could be observed. The irregular sequence of these satellites indicated that in both molecules, the XCN bending mode is highly anharmonic. Indeed, the XCNO molecules exhibit truly quasilinear behavior. From semirigid bender analyses of the rotational data, the effective potential functions and their barriers to linearity were determined. The barrier heights were found to be 130.82 (56) cm-1 for BrCNO and 166.86 (84) cm-1 for ClCNO, resulting in quasilinearity parameters γ0 of +0.362 and +0.416, respectively.

10.1021/jp012067u

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Citations (20)