التفاصيل البيبلوغرافية
| العنوان: |
Dissociative Electron Attachment Cross Sections for Ni(CO) 4 , Co(CO) 3 NO, Cr(CO) 6. |
| المؤلفون: |
Pintea, Maria, Mason, Nigel, Tudorovskaya, Maria |
| المصدر: |
Chemistry (2624-8549); Sep2022, Vol. 4 Issue 3, p1060-1075, 16p |
| مصطلحات موضوعية: |
ELECTRON beam deposition, ELECTRON affinity, ELECTRONS, EXPLOSIVES |
| مستخلص: |
Ni(CO)4, Cr(CO)6, Co(CO)3NO are some of the most common precursors used for focused electron beam induced deposition. Some of the compounds, even though extensively used have high requirements when it comes to handling being, explosives, highly flammable and with high toxicity levels, as is the case of Ni(CO)4. We are employing simulations to determine values hard to determine experimentally, and compare them with DFT calculations and experimental data where available. The use of Quantemol-N cross section simulations for dissociative electron attachment (DEA) at low electron energy in the range of 0–20 eV, gives valuable information on the fragmentation of the molecules, based on their bond dissociation energies, electron affinities and incident electron energies. The values obtained for the cross sections are 0.12 × 10−18 cm2 for Ni(CO)4, 4.5 × 10−16 cm2 for Co(CO)3NO DEA cross-sections and 4.3 × 10−15 cm2 for Cr(CO)6. [ABSTRACT FROM AUTHOR] |
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