Vibrational frequencies and structural determination of adamantane

Jensen, James O.

doi:10.1016/j.saa.2003.09.024

Cited by 47 publications

(55 citation statements)

References 38 publications

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“…Since these modes are IR inactive, experimental frequencies for these modes have been obtained by Raman spectroscopy of adamantane in condensed-phase samples. 14,16 When strong Coriolis interaction occurs, the perturbing mode may become weakly active, but we did not detect any absorption in the region of ν 12 or ν 19 . Since no large perturbations were detected in the branches of ν 30 , it was treated as an isolated band in the analysis.…”

Section: Resultscontrasting

confidence: 63%

“…structure, we clearly distinguish the presence of one or several other Q-branches belonging to hot bands. Since the spectra have been recorded at room temperature, the hot bands may involve several quanta of the low frequency modes centered at 355 cm −1 (ν 19 mode, F 1 symmetry), 16 400 cm −1 (ν 12 mode, E symmetry), 14 and 442 cm −1 (ν 30 mode, F 2 symmetry). The fit of the fundamental band included 3530 lines yielding 13 parameters of the Hamiltonian described in Sec.…”

Section: Resultsmentioning

confidence: 99%

“…4,20 Adamantane displays strong Raman activity and Raman spectra of adamantane 16 as well as of several larger diamondoid molecules 21,22 have been reported. Similar to bulk diamond, diamondoid molecules including adamantane are widely transparent across the visible and UV parts of the spectrum and UV transitions are observed only beyond ≈6 eV (≈205 nm); synchrotron sources have been utilized to characterize the UV properties of a series of diamondoid molecules.…”

Section: Introductionmentioning

confidence: 97%

“…As the smallest building block of the series of diamondoid molecules, adamantane (C 10 H 16 ) is a molecule of fundamental interest, comparable for instance to benzene as the progenitor of polyaromatic species or methane as the progenitor of simple alkanes. Adamantane belongs to the family of cyclo-alkanes and represents a single cage of a diamond lattice.…”

Section: Introductionmentioning

confidence: 99%

“…Vibrational spectra are available for adamantane, [14][15][16] various larger diamondoid molecules 17 including some of their positively charged ions 18,19 and diamond nanoparticles. 4,20 Adamantane displays strong Raman activity and Raman spectra of adamantane 16 as well as of several larger diamondoid molecules 21,22 have been reported.…”

Section: Introductionmentioning

confidence: 99%

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Rotationally resolved infrared spectroscopy of adamantane

Pirali

Boudon

Oomens

et al. 2012

The Journal of Chemical Physics

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Rotationally resolved infrared spectroscopy of adamantanePirali, O.; Boudon, V.; Oomens, J.; Vervloet, M. General rightsIt is not permitted to download or to forward/distribute the text or part of it without the consent of the author(s) and/or copyright holder(s), other than for strictly personal, individual use, unless the work is under an open content license (like Creative Commons). Disclaimer/Complaints regulationsIf you believe that digital publication of certain material infringes any of your rights or (privacy) interests, please let the Library know, stating your reasons. In case of a legitimate complaint, the Library will make the material inaccessible and/or remove it from the website. Please Ask the Library: http://uba.uva.nl/en/contact, or a letter to: Library of the University of Amsterdam, Secretariat, Singel 425, 1012 WP Amsterdam, The Netherlands. You will be contacted as soon as possible. We present the first rotationally resolved spectra of adamantane (C 10 H 16 ) applying gas-phase Fourier transform infrared (IR) absorption spectroscopy. High-resolution IR spectra are recorded in the 33-4500 cm −1 range using as source of IR radiation both synchrotron radiation (at the AILES beamline of the SOLEIL synchrotron) as well as a classical globar. Adamantane is a spherical top molecule with tetrahedral symmetry (T d point group) and has no permanent dipole moment in its vibronic ground state. Of the 72 fundamental vibrational modes in adamantane, only 11 are IR active. Here we present rotationally resolved spectra for seven of them: ν 30 , ν 28 , ν 27 , ν 26 , ν 25 , ν 24 , and ν 23 . The typical rotational structure of spherical tops is observed and analyzed using the STDS software developed in the Dijon group, which provides the first accurate energy levels and rotational constants for seven fundamental modes. Rotational levels with quantum numbers as high as J = 107 have been identified and included in the fit leading to a typical standard deviation of about 10 −3 cm −1 .

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Section: Resultscontrasting

confidence: 63%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 97%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Rotationally resolved infrared spectroscopy of adamantane

Pirali

Boudon

Oomens

et al. 2012

The Journal of Chemical Physics

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Infrared Spectrum and Structure of the Adamantane Cation: Direct Evidence for Jahn–Teller Distortion

et al. 2012

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In Schwung gebracht: Das IR‐Spektrum des Adamantankations, C10H16+, konnte durch resonante IR‐Photodissoziationsspektroskopie des schwach gebundenen C10H16+⋅Ln‐Clusters erhalten werden (siehe Bild). Die Analyse des IR‐Spektrums liefert die erste spektroskopische Charakterisierung dieses Cycloalkan‐ Carbokations in der Gasphase und einen direkten Hinweis auf eine Jahn‐Teller‐Verzerrung im elektronischen 2A1‐Grundzustand.

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Infrared Spectrum and Structure of the Adamantane Cation: Direct Evidence for Jahn–Teller Distortion

et al. 2012

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The fundamentals: the IR spectrum of the adamantane cation, C(10)H(16)(+), has been derived by resonant IR photodissociation of weakly bound C(10)H(16)(+)⋅L(n) clusters. The analysis of the IR spectrum provides the first spectroscopic characterization of this fundamental cycloalkane carbocation in the gas phase and direct evidence for the Jahn-Teller distortion in the (2)A(1) ground electronic state.

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Vibrational frequencies and structural determination of adamantane

Cited by 47 publications

References 38 publications

Rotationally resolved infrared spectroscopy of adamantane

Rotationally resolved infrared spectroscopy of adamantane

Infrared Spectrum and Structure of the Adamantane Cation: Direct Evidence for Jahn–Teller Distortion

Infrared Spectrum and Structure of the Adamantane Cation: Direct Evidence for Jahn–Teller Distortion

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