Molecular orbital model of atomic collisions

Lichten, William

doi:10.1021/j100454a003

Cited by 52 publications

(5 citation statements)

References 7 publications

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“…The decay of the

a {normalΠ}_{normalg}^{1}

state to the ground one is forbidden according to the electric dipole selection rules. It happens as a magnetic dipole transition (connecting states of the same parity), and the

a {normalΠ}_{normalg}^{1}

state of the N 2 molecule has a lifetime of about 10 −4 s, [ 26 ] which is much higher than typical electronic transitions (nanoseconds to picoseconds). This raises the chances that the abstraction mechanism actually involves two N 2 molecules both in the

a {normalΠ}_{normalg}^{1}

state.…”

Section: Resultsmentioning

confidence: 99%

Mechanisms for N₃ formation in radiated solid nitrogen: Computational predictions including excited electronic states

Silva

Belchior

Galvão

2020

Int J of Quantum Chemistry

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A computational investigation of the azide radical formation from two N2 molecules was carried out employing the CASSCF and MRCI electronic structure methods. Potential energy curves were built considering various electronic excited states along proposed reaction coordinates. Reaction paths with C2v and Cs symmetries were considered and energy barriers were estimated, as well as intersections between key electronic states were found. A possible reaction mechanism is suggested involving a nitrogen atom abstraction to produce linear N3. The distinction between N3 formed by UV radiated ices and other sources of energy is presented and rationalized. Among other results, we predict that the N3 radical can react barrierlessly with N(2D) atoms, yielding N2 + N2 products.

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“…The decay of the

a {normalΠ}_{normalg}^{1}

state to the ground one is forbidden according to the electric dipole selection rules. It happens as a magnetic dipole transition (connecting states of the same parity), and the

a {normalΠ}_{normalg}^{1}

a {normalΠ}_{normalg}^{1}

state.…”

Section: Resultsmentioning

confidence: 99%

Mechanisms for N₃ formation in radiated solid nitrogen: Computational predictions including excited electronic states

Silva

Belchior

Galvão

2020

Int J of Quantum Chemistry

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“…The charge state of a $DR$ depends on factors like the type of chemical bonding of targets, formation of molecular orbitals during collision [13] and the state of sputtering surface e.g., adsorption, ion induced roughing etc.…”

Section: Detection Of Direct Recoilsmentioning

confidence: 99%

Energy spectra of charged clusters recoiling from Xe⁺irradiated graphite surface

Ahmad

2000

Radiation Effects and Defects in Solids

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“…There are two types of neutralization process via electron promotion. One is an atomic-like process where two atomic levels cross adiabatically in the quasimolecular state at the impact collision and then neutralization occurs [31,32]. The other is an enhanced-resonance process via electron promotion [33].…”

Section: The Neutralization Process At Incident Energies Above 80 Evmentioning

confidence: 99%

Scattering of low-energy (10 - 350 eV) light ions from Al(111); neutralization and dissociation

Okada¹,

Murata²

1997

J. Phys.: Condens. Matter

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The incident-energy dependence and angular distribution of a scattered- yield were measured and compared with those of scattered- and scattered- yields. Below the incident energy of 80 eV, both resonance and Auger neutralization processes are considered to contribute to the ion-survival probability in and scattering, from the analysis based on the calculation by Imke et al (Imke U, Snowdon K J and Heiland W 1986 Phys. Rev. B 34 41, 48). Above the incident energy of 80 eV, the electron promotion mechanism contributes additionally to the ion neutralization process, and causes the difference between and the other ions as regards the survival-ion yields. The threshold energy at which dissociated appears for incidence is . The dissociated is considered to arise via reionization of a D atom which is dissociated from once-neutralized via impulsive collision.

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Molecular orbital model of atomic collisions

Cited by 52 publications

References 7 publications

Mechanisms for N₃ formation in radiated solid nitrogen: Computational predictions including excited electronic states

Mechanisms for N₃ formation in radiated solid nitrogen: Computational predictions including excited electronic states

Energy spectra of charged clusters recoiling from Xe⁺irradiated graphite surface

Scattering of low-energy (10 - 350 eV) light ions from Al(111); neutralization and dissociation

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Molecular orbital model of atomic collisions

Cited by 52 publications

References 7 publications

Mechanisms for N3 formation in radiated solid nitrogen: Computational predictions including excited electronic states

Mechanisms for N3 formation in radiated solid nitrogen: Computational predictions including excited electronic states

Energy spectra of charged clusters recoiling from Xe+irradiated graphite surface

Scattering of low-energy (10 - 350 eV) light ions from Al(111); neutralization and dissociation

Contact Info

Product

Resources

About

Mechanisms for N₃ formation in radiated solid nitrogen: Computational predictions including excited electronic states

Mechanisms for N₃ formation in radiated solid nitrogen: Computational predictions including excited electronic states

Energy spectra of charged clusters recoiling from Xe⁺irradiated graphite surface