Electronic spectra and molecular geometry of the non-linear carbon chain C9H3

Zhao, Dongfeng; Wehres, Nadine; Linnartz, H.; Ubachs, Wim

doi:10.1016/j.cplett.2010.11.048

Cited by 16 publications

(33 citation statements)

References 16 publications

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“…1) are the most likely carriers of experimental spectra previously recorded for C 9 H 3 and C 11 H 3 , respectively. For C 9 H 3 this is consistent with the outcome of a recent study 15 in which the K-stack structure could be resolved.…”

Section: Introductionsupporting

confidence: 80%

“…Based on previous studies involving mass-spectrometric detection, 11,12 these spectra can be unambiguously assigned to electronic transitions of C 9 H 3 and C 11 from a spectral contour fit of an a-type transition, reflecting the nonlinear structure of this molecule. 15 For large molecules such as C 9 H 3 , the difference between rotational constants of different isotopologues is generally small. The DFT calculations confirm that the rotational constants of different isotopologues are very comparable (see Table I), and within the uncertainties of the empirical contour fit from the experimental spectrum of C 9 H 3 .…”

Section: A Experimental Spectramentioning

confidence: 99%

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Structure determination of the nonlinear hydrocarbon chains C9H3 and C11H3 by deuterium labeling

Haddad

Linnartz

Ubachs

2011

The Journal of Chemical Physics

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A systematic deuterium labeling experiment is presented that aims at an unambiguous determination of the geometrical ground state structure of the C 9 H 3 and C 11 H 3 hydrocarbon chains. Cavity ringdown spectroscopy and special plasma expansions constituting C/H, C/D, and C/H/D are used to record optical transitions of both species and their (partially) deuterated equivalents in the 19 000 cm −1 region. The number of observed bands, the quantitative determination of isotopic shifts, and supporting calculations show that the observed C 9 H 3 and C 11 H 3 spectra originate from HC 4 (CH)C 4 H and HC 4 [C(C 2 H)]C 4 H species with C 2v symmetry. This result illustrates the potential of deuterium labeling as a useful approach to characterize the molecular structure of nonlinear hydrocarbon chains.

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Section: Introductionsupporting

confidence: 80%

Section: A Experimental Spectramentioning

confidence: 99%

Structure determination of the nonlinear hydrocarbon chains C9H3 and C11H3 by deuterium labeling

Haddad

Linnartz

Ubachs

2011

The Journal of Chemical Physics

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“…22 The best achievable resolution with this nozzle is less, but spectra with different rotvibrational temperatures can be more easily obtained by varying the distance of pinhole nozzle orifice to the cavity axis. Specifically, for the C 6 H radical studied in the present experiment, spectra are obtained at six different distances between 15 and 2 mm resulting in rotational temperatures between ∼7 and 21 K.…”

Section: Methodsmentioning

confidence: 99%

C6H and C6D: Electronic spectra and Renner-Teller analysis

Haddad¹,

Linnartz²,

Ubachs³

2011

The Journal of Chemical Physics

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vibronic hot bands are discussed here for the first time. The Renner-Teller effect for the lowest bending mode ν 11 is analyzed, yielding the Renner parameters ε 11 , vibrational frequencies ω 11 , and the true spin-orbit coupling constants A SO for both 2 electronic states. From the Renner-Teller analysis and spectral intensity measurements as a function of plasma jet temperature, the excitation energy of the lowest-lying 11 1 μ 2 vibronic state of C 6 H is determined to be (11.0 ± 0.8) cm −1 .

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“…The molecular ions traverse a time of flight (TOF) tube before being detected. Population of the X 1 Σ + g , v = 1 state in the molecular beam is achieved through a pulsed pinhole discharge source [22].…”

mentioning

confidence: 99%

Fundamental Vibration of Molecular Hydrogen

et al. 2013

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The fundamental ground tone vibration of H2, HD, and D2 is determined to an accuracy of 2 × 10 −4 cm −1 from Doppler-free laser spectroscopy in the collisionless environment of a molecular beam. This rotationless vibrational splitting is derived from the combination difference between electronic excitation from the X 1 Σ + g , v = 0 and v = 1 levels to a common EF 1 Σ + g , v = 0 level. Agreement within 1σ between the experimental result and a full ab initio calculation provides a stringent test of quantum electrodynamics in a chemically-bound system.Quantum electrodynamics (QED), the fully quantized and relativistic version of electromagnetism, solves the problem of infinities associated with charged point-like particles and includes the effects of spontaneous particleantiparticle generation from the vacuum. QED is tested to extreme precision by comparing values for the electromagnetic coupling constant α obtained from measurements of the g-factor of the electron [1] and from interferometric atomic recoil measurements [2]. These experiments and the Lamb shift measurements in atomic hydrogen [3,4] have made QED the most accurately tested theory in physics. Concerning molecules, significant progress has been made recently in theoretical [5] and experimental [6,7] investigations of QED phenomena in the HD + molecular ion, where multiple angular momenta (rotational, electronic and nuclear spins) play a role. Neutral hydrogen has also recently been targeted for QED-tests, via a measurement of the dissociation energy of the H 2 [8], HD [9], and D 2 [10] molecules, and the experimental determination of rotationally excited quantum levels inThe rotationless fundamental ground tone (i.e. the vibrational energy splitting between the v ′′ = 0, J ′′ = 0 and v ′ = 1, J ′ = 0 quantum states) of the neutral hydrogen molecule is an ideal test system for several reasons. The total electronic angular momentum is zero for the X 1 Σ + g ground state and the total nuclear spin for the rotationless J = 0 state of para-H 2 is also zero resulting in a simple spectrum without hyperfine splitting. The hyperfine splitting is extremely small in HD (down to the Hz level [12]) and D 2 in the absence of an I · J interaction for the J = 0 ground state. The recent progress in theory allows for calculations involving relativistic and QED-effects up to order α 4 [13,14]. Energy contributions in the calculation cancel to a large degree for the fundamental ground tone, leading to a significant reduction in the uncertainty, thereby allowing for accurate QED tests.The present study focuses on a precise laser spectroscopic measurement of the rotationless fundamental quantum of vibration in H 2 , HD and D 2 . In the absence of rotation a one-photon transition between the FIG. 1. (Color online)A schematic layout of the experimental setup. The oscillator cavity is seeded by a cw Ti:Sa laser, the pulsed output of which makes multiple passes in an amplifier stage. The amplified output is frequency up-converted in two frequency doubling (SHG) stages leadin...

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Electronic spectra and molecular geometry of the non-linear carbon chain C9H3

Cited by 16 publications

References 16 publications

Structure determination of the nonlinear hydrocarbon chains C9H3 and C11H3 by deuterium labeling

Structure determination of the nonlinear hydrocarbon chains C9H3 and C11H3 by deuterium labeling

C6H and C6D: Electronic spectra and Renner-Teller analysis

Fundamental Vibration of Molecular Hydrogen

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