The vibrational spectroscopy of C60H36: An experimental and theoretical study

Bini, Roberto; Ebenhoch, Jochen; Fanti, M.; Fowler, P. W.; Leach, Sydney; Orlandi, Giorgio; Rüchardt, Christoph; Sandall, John P. B.; Zerbetto, Francesco

doi:10.1016/s0301-0104(98)00035-4

Cited by 51 publications

(45 citation statements)

References 23 publications

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“…Figure 3 compares the results of our calculations with those for C 60 H 36 : upper panel presents the calculated positions and intensities for C 60 H and C 60 H 2 , and lower panel is plotted using available mode positions and intensities from Ref. [3]. Experimental Raman spectra (Fig.…”

Section: Methodsmentioning

confidence: 99%

“…We used this method to: (i) find the regions where the C:H bonds reveal, (ii) analyze the C 60 modes which are sensitive to polymerization. In previous works the Raman studies of hydrogenated fullerenes have been made on heavily hydrogenated samples such as C 60 H 36 and C 60 H 24 [3] whilst any information on dilutely hydrogenated C 60 is absent. We calculated the Raman activity for C 60 H and for C 60 H 2 in the energetically favourable configuration.…”

Section: Methodsmentioning

confidence: 99%

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Experimental realization of high spin states in dilutely hydrogenated fullerenes

Makarova

Zakharova

Kvyatkovskiĭ

et al. 2009

Physica Status Solidi (b)

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A novel method for preparing dilutely hydrogenated fullerenes H:C 60 is presented. DFT calculations of the Raman spectra at the B3LYP/3-21G level are compared with the experimental data. Under the laser treatment these phases form a rich variety of dimeric and polymeric structures, quite in contrast to pristine C 60 which forms dimers and polymers bonded through the [2 þ 2] addition, and in contrast to heavily hydrogenated fullerenes which do not polymerize at all. Dilutely hydrogenated fullerenes polymerize differently, forming both double bonded structures and single bonded dimers. We have shown that dilute hydrogenation of C 60 creates large amount of unpaired spins which disappear due to the formation of diamagnetic single bonded dimers.

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Experimental realization of high spin states in dilutely hydrogenated fullerenes

Makarova

Zakharova

Kvyatkovskiĭ

et al. 2009

Physica Status Solidi (b)

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“…[10,32] A comparison of experimental and simulated infrared and Raman spectra of five C 60 H 36 isomers led Rüchardt and co-workers to conclude that the products of this reaction are a mixture of D 3d 2 and S 6 3. [38,40] A recent comparison of Raman spectra of C 60 H 36 samples prepared by high pressure hydrogenation with the results of molecular dynamics calculations prompted Meletov and co-workers to conclude that the three most abundant isomers have D 3d , S 6 , and T symmetries. [69] Attalla and co-workers treated fullerite (ca.…”

Section: (D) C 60 H 36 and C 60 H 18mentioning

confidence: 99%

“…[27] Although the T isomer 5 had previously been proposed as the major product, [57,71] analysis of the infrared spectrum led Rüchardt and co-workers to conclude that isomer 3 was the best candidate. [40] An important advance in the characterization of C 60 H 36 came recently when several isomers from the Birch reduction and the transfer hydrogenation method of Rüchardt were isolated by preparative HPLC. [72] Analysis of four bands from the Birch reduction by mass spectrometry indicated that C 60 H 36 is the sole product in the two major bands (Figure 9).…”

Section: (D) C 60 H 36 and C 60 H 18mentioning

confidence: 99%

The Synthesis and Characterization of Fullerene Hydrides

et al. 2001

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“…The spectra in the range 200-800 nm by Bensasson et al (1997Bensasson et al ( , 1998a and Bini et al (1998) provided the possibility of testing whether some of the DIBs and other aspects of interstellar extinction such as the 217 nm peak are due to these species. In particular, the spectra of CeoHis and C60H36 do not support the suggestion that the 217 nm peak is due to partially hydrogenated fullerenes.…”

Section: Electronic Spectramentioning

confidence: 99%

Commission 14: Atomic and Molecular Data: (Donnees Atomiques et Moleculaires)

Rostas¹,

Smith²,

Berrington³

et al. 2000

Trans. Int. Astron. Union

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In recognition of its special interdisciplinary character, IAU Commission 14 is linked directly to the Executive Committee. The Commission’s role is to inform the astronomical community of new developments in the diverse fields of research which involve atoms and molecules. Conversely it endeavors to sensitize the research community active in those fields to the specific needs of astronomy, especially concerning basic data and modeling tools. More generally, Commission 14 tries to foster long term relations and collaborations between the two communities and, when necessary, to alert funding authorities to the specific needs of ground and space based astronomy for specific atomic and molecular data. This report is one of the main contributions of Commission 14 to the information of the astronomical community. Several meetings concerned, at least in part, with the need and availability of atomic and molecular data for astrophysics were also sponsored or co-sponsored. In the last triennium, Commission 14 cosponsored IAU Symposium 194 “Astrochemistry: From Molecular Cloud to Planetary Systems” held in Sogwipo (Korea) from Aug. 23 to 27, 1999 and organized by Commission 34. A Joint Discussion: JD1 on “Atomic and Molecular Data for Astrophysics, New Developments, Case Studies and Future Needs” has been planned for the XXIVth IAU General Assembly in Manchester (Aug. 7-19, 2000) and cosponsored by Commissions 15, 16, 29, 34, 36, 40 and 44. Several other Joint Discussions to be held at the Manchester General Assembly are co-sponsored by this commission.

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The vibrational spectroscopy of C60H36: An experimental and theoretical study

Cited by 51 publications

References 23 publications

Experimental realization of high spin states in dilutely hydrogenated fullerenes

Experimental realization of high spin states in dilutely hydrogenated fullerenes

The Synthesis and Characterization of Fullerene Hydrides

Commission 14: Atomic and Molecular Data: (Donnees Atomiques et Moleculaires)

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