Direct Experimental Probe of the On-Site Coulomb Repulsion in the Doubly Charged Fullerene Anion<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mmultiscripts><mml:mi mathvariant="normal">C</mml:mi><mml:mn>70</mml:mn><mml:none /><mml:none /><mml:mrow><mml:mn>2</mml:mn><mml:mo>−</mml:mo></mml:mrow></mml:mmultiscripts></mml:math>

Wang, Xuebin; Woo, Hin-Koon; Huang, Xin; Kappes, Manfred M.; Wang, Lai-Sheng

doi:10.1103/physrevlett.96.143002

Cited by 75 publications

(40 citation statements)

References 34 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The ωB97XD results are in agreement with a comparison of the vibrational structures of the first ionization peaks of C 60 − and C 70 − derived by means of photoelectron spectroscopy, which points to a larger relaxation energy in the case of C 70 − . 43,44 Overall, this conclusion is consistent with the fact that the electron mobilities in C 60 and PC 61 BM thin films are larger than in PC 71 BM. 45 In the context of the present discussion, it is useful to recall that B3LYP has been demonstrated to overdelocalize wave functions, especially in the case of extended π-conjugated systems, a deficiency precisely overcome by tuned long-range corrected functionals.…”

supporting

confidence: 88%

Static and Dynamic Energetic Disorders in the C₆₀, PC₆₁BM, C₇₀, and PC₇₁BM Fullerenes

Tummala

Zheng

Aziz

et al. 2015

J. Phys. Chem. Lett.

106

119

View full text Add to dashboard Cite

We use a combination of molecular dynamics simulations and density functional theory calculations to investigate the energetic disorder in fullerene systems. We show that the energetic disorder evaluated from an ensemble average contains contributions of both static origin (time-independent, due to loose packing) and dynamic origin (time-dependent, due to electron-vibration interactions). In order to differentiate between these two contributions, we compare the results obtained from an ensemble average approach with those derived from a time average approach. It is found that in both amorphous C60 and C70 bulk systems, the degrees of static and dynamic disorder are comparable, while in the amorphous PC61BM and PC71BM systems, static disorder is about twice as large as dynamic disorder.

show abstract

supporting

confidence: 88%

Static and Dynamic Energetic Disorders in the C₆₀, PC₆₁BM, C₇₀, and PC₇₁BM Fullerenes

Tummala

Zheng

Aziz

et al. 2015

J. Phys. Chem. Lett.

106

119

View full text Add to dashboard Cite

show abstract

“…In contrast, vibrationally hot C 2− 60 can decay within milliseconds via tunneling of an electron through the Coulomb barrier as reported in [40]. In comparison, vibrationally hot C 2− 70 was observed to be stable for seconds due to its slightly positive electron affinity [40,41].…”

Section: Liquid-drop-model Descriptionmentioning

confidence: 77%

Electron binding energies from collisional activation of metal-cluster dianions

Herlert

Schweikhard

2011

Appl. Phys. B

View full text Add to dashboard Cite

Gold-cluster dianions Au 2− n , n = 21-31, have been investigated by use of multi-collisional excitation in a Penning trap. At low excitation energies the corresponding singly charged cluster anions have been observed, but no fragments, which indicates the emission of one electron. The binding energy of the surplus electron is deduced from the dianion yield observed as a function of the collision energy by use of a statistical model based on detailed balance. The resulting binding energies of the second electrons are in good agreement with a simple liquid-drop model with empirical corrections including the Coulomb barrier. The double difference of these energies shows a strong odd-even staggering which is compared to the behavior of the electron affinity of neutral gold clusters.

show abstract

“…This, however, appears unlikely upon examination of the data in Fig. 2 [58][59][60] Compounds with higher EAs prevent the formation of anions from compounds with lower EAs in a mixture, as shown by Boltalina and co-workers using laser desorption/ionization (LDI). 15 The popular MALDI technique suffers from a similar limitation, but Boltalina and co-workers successfully dealt with the problem by judicious choice of matrix.…”

Section: Analysis Of Fullerenesmentioning

confidence: 85%

Electron capture atmospheric pressure photoionization mass spectrometry: analysis of fullerenes, perfluorinated compounds, and pentafluorobenzyl derivatives

Song

Wellman

Yao

et al. 2007

Rapid Comm Mass Spectrometry

View full text Add to dashboard Cite

An electron capture (EC) ionization mechanism has been found to be highly efficient in negative-ion atmospheric pressure photoionization (APPI) for the analysis of compounds with positive electron affinity (EA). Using negative-ion APPI, we first report the sensitive detection of natural electrophores with limited polarity, such as fullerenes and perfluorinated compounds, by mass spectrometry (MS). Using direct infusion on a quadrupole time-of-flight (QTOF) mass spectrometer, the limits of detection (LODs) for C(60) and perfluoromethylcyclohexane were determined to be 0.15 pg (0.2 fmol) and 1 femtoliter (fL) ( approximately 1.5 pg or 4.3 fmol), respectively. As the EA of the analyte increases, the detection sensitivity is enhanced. Making use of the accurate mass measurement capability of the QTOF mass spectrometer, we were able to investigate the elemental composition of the ions in each spectrum and attribute the observed high sensitivity to an EC-initiated ionization process. The proposed EC ionization mechanism is further supported by the observation of a dissociative EC reaction of pentafluorobenzyl (PFB)-derivatized phenols. The analysis of phenols by EC-APPI of their PFB derivatives resulted in very high sensitivity, with the lowest reported LOD of approximately 0.17 pg (0.5 fmol) being for 2,4-dinitrophenol. For future LC/EC-APPI-MS applications, the effect of additives and solvents on sensitivity was also tested and reported.

show abstract

Direct Experimental Probe of the On-Site Coulomb Repulsion in the Doubly Charged Fullerene AnionC702−

Cited by 75 publications

References 34 publications

Static and Dynamic Energetic Disorders in the C₆₀, PC₆₁BM, C₇₀, and PC₇₁BM Fullerenes

Static and Dynamic Energetic Disorders in the C₆₀, PC₆₁BM, C₇₀, and PC₇₁BM Fullerenes

Electron binding energies from collisional activation of metal-cluster dianions

Electron capture atmospheric pressure photoionization mass spectrometry: analysis of fullerenes, perfluorinated compounds, and pentafluorobenzyl derivatives

Contact Info

Product

Resources

About

Direct Experimental Probe of the On-Site Coulomb Repulsion in the Doubly Charged Fullerene AnionC702−

Cited by 75 publications

References 34 publications

Static and Dynamic Energetic Disorders in the C60, PC61BM, C70, and PC71BM Fullerenes

Static and Dynamic Energetic Disorders in the C60, PC61BM, C70, and PC71BM Fullerenes

Electron binding energies from collisional activation of metal-cluster dianions

Electron capture atmospheric pressure photoionization mass spectrometry: analysis of fullerenes, perfluorinated compounds, and pentafluorobenzyl derivatives

Contact Info

Product

Resources

About

Static and Dynamic Energetic Disorders in the C₆₀, PC₆₁BM, C₇₀, and PC₇₁BM Fullerenes

Static and Dynamic Energetic Disorders in the C₆₀, PC₆₁BM, C₇₀, and PC₇₁BM Fullerenes