Coincidence study of core-ionized adamantane: site-sensitivity within a carbon cage?

Ganguly, Smita; Gisselbrecht, Mathieu; Eng-Johnsson, Per; Feifel, Raimund; Hervieux, Paul-Antoine; Alfaytarouni, Zeinab; Fink, Reinhold F.; Díaz‐Tendero, Sergio; Milosavljević, Aleksandar R.; Rousseau, Patrick; Maclot, Sylvain

doi:10.1039/d2cp04426a

Cited by 4 publications

(4 citation statements)

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“…Two distinct regions were identified in the RAES, corresponding to participator Auger decay (1h) at the low binding energy (<17.5 eV), and spectatorAuger decay (2h-1p) at the high binding energy (>25 eV). By comparing to the off-resonant and the normal Auger spectra reported in our previous study [ 25 ], the region in the vicinity of the IT

is referred to as a mixed region, due to possible overlap of 1h and 2h–1p states [ 31 , 32 , 33 ]. The final Auger-populated states lying above the double ionization threshold (IT

) at 23.9 eV auto-ionize to form adamantane dication.…”

Section: Resultsmentioning

confidence: 99%

“…The mass spectrum was calculated as projections of Auger-electron Photoion–Photoion coincidence (AE-PIPICO) maps. In our previous AE-PIPICO study [ 25 ], we speculated that site-sensitive fragmentation of adamantane dication after core-ionization indirectly used theoretical normal Auger decay calculations. Here, we directly studied site-selective fragmentation using core excitation.…”

Section: Resultsmentioning

confidence: 99%

“…This is mainly due to the different orbitals involved in the ionizing process and the amount of internal energy deposited in the system. In our previous work [ 25 ], we found indirect evidence of site-sensitive fragmentation of adamantane after core-ionization of either the CH or CH

sites. Here, we extend our research to explore site-selective fragmentation of adamantane, using resonant excitation, and compare the results to the core ionization study.…”

Section: Introductionmentioning

confidence: 85%

“…The CO

C-1s →

* absorption peak [ 39 ] was used to calibrate the photon energy for the present experiment. A heated gas cell [ 25 ] was used, with a VG-Scienta R4000 electron energy analyzer, to perform electron spectroscopy measurements [ 40 ]. The high-purity commercial adamantane powder (99%, Sigma-Aldrich, Saint-Quentin-Fallavier, France) was used as a sample without further purification.…”

Section: Methodsmentioning

confidence: 99%

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Resonant Inner-Shell Photofragmentation of Adamantane (C10H16)

et al. 2023

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Adamantane, the smallest diamondoid molecule with a symmetrical cage, contains two distinct carbon sites, CH and CH2. The ionization/excitation of the molecule leads to the cage opening and strong structural reorganization. While theoretical predictions suggest that the carbon site CH primarily causes the cage opening, the role of the other CH2 site remains unclear. In this study, we used advanced experimental Auger electron–ion coincidence techniques and theoretical calculations to investigate the fragmentation dynamics of adamantane after resonant inner-shell photoexcitation. Our results demonstrate that some fragmentation channels exhibit site-sensitivity of the initial core–hole location, indicating that different carbon site excitations could lead to unique cage opening mechanisms.

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is referred to as a mixed region, due to possible overlap of 1h and 2h–1p states [ 31 , 32 , 33 ]. The final Auger-populated states lying above the double ionization threshold (IT

) at 23.9 eV auto-ionize to form adamantane dication.…”

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

sites. Here, we extend our research to explore site-selective fragmentation of adamantane, using resonant excitation, and compare the results to the core ionization study.…”

Section: Introductionmentioning

confidence: 85%

“…The CO

C-1s →

Section: Methodsmentioning

confidence: 99%

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Resonant Inner-Shell Photofragmentation of Adamantane (C10H16)

et al. 2023

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Preparative Diamondoid Functionalizations

2024

The Chemistry of Diamondoids

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Observation of sequential three-body dissociation of camphor molecule—a native frame approach

De,

Mandal,

Sen

et al. 2024

J. Phys. B: At. Mol. Opt. Phys.

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The three-body dissociation dynamics of the dicationic camphor molecule (C10H16O2+) resulting from Auger decay are investigated using soft X-ray synchrotron radiation. A photoelectron-photoion-photoion coincidence (PEPIPICO) method, a combination of a velocity map imaging (VMI) spectrometer and a time-of-flight (ToF) spectrometer is employed to measure the 3D momenta of ions detected in coincidence. The ion mass spectra and the ion-ion coincidence map at photon energies of 287.9 eV (below the C 1s ionization potential) and 292.4 eV (above the C 1s ionization potential for skeletal carbon) reveal that fragmentation depends on the final dicationic state rather than the initial excitation. Using the native frame method, three new fragmentation channels are discussed; (1) CH2CO+ + C7H11 + + CH3, (2) CH3 + + C7H11 + + CH2CO, and (3) C2H5 + + C6H9 + + CH2CO. The dominating nature of sequential decay with deferred charge separation is clearly evidenced in all three channels. The results are discussed based on the experimental angular distributions and momenta distributions, corroborated by geometry optimization of the ground, monocationic, and dicationic camphor molecule.

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Coincidence study of core-ionized adamantane: site-sensitivity within a carbon cage?

Abstract: We investigate the fragmentation dynamics of adamantane dications produced after core-ionization at the carbon edge followed by Auger decay. The combination of high-resolution electron spectroscopy, energy-resolved electron-ion multi-coincidence spectroscopy and...

Cited by 4 publications

References 61 publications

Resonant Inner-Shell Photofragmentation of Adamantane (C10H16)

Resonant Inner-Shell Photofragmentation of Adamantane (C10H16)

Preparative Diamondoid Functionalizations

Observation of sequential three-body dissociation of camphor molecule—a native frame approach

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