Pulsed laser-assisted reactions of boron and nitrogen atoms in a condensing nitrogen stream

Hassanzadeh, Parviz; Andrews, Lester

doi:10.1021/j100202a020

Cited by 159 publications

(180 citation statements)

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“…These clusters have, in fact, already been experimentally [4][5][6][7][8] and theoretically studied [9,10]. In these thea e-mail: ppiquini@ccne.ufsm.br oretical studies, however, the authors focused mainly on the characterization of each individual clusters.…”

Section: Introductionmentioning

confidence: 97%

Systematic study of small BN clusters

Guerini

Piquini

2001

The European Physical Journal D

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We performed a systematic investigation of the small BxNy (x+y ≤ 6) clusters using the ab initio Hartree-Fock scheme plus second-order perturbation theory. The nature of the potential energy surface extrema are analyzed through analytical total energy second derivatives. Ionization potentials, binding energies and the stability against some possible reaction mechanisms are calculated. Based on these results we propose that the growing process for these clusters is mainly due to the successive incorporation of BN molecules. A discussion of some mass spectrometry experimental results is also presented. PACS. 36.40.-c Atomic and molecular clusters -36.40.Qv Stability and fragmentation of clusters

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Section: Introductionmentioning

confidence: 97%

Systematic study of small BN clusters

Guerini

Piquini

2001

The European Physical Journal D

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“…In addition, significant excess kinetic energy is imparted to the vaporized atoms, providing sufficient energy for kinetically unfavorable reactions. Metal cations and electrons are also ablated; 21 even highly refractory substances, such as boron, 19,20 and tungsten, 22 which is commonly used to make Knudsen cells, can be successfully atomized by the laser ablation method. Additional reactive species that are present in the laser ablation plumes, but not provided by the effusive sources, are metal cations and electrons, which enhance the reactivity of systems under study.…”

Section: Methods For Depositing Matrix-isolated Guest Speciesmentioning

confidence: 99%

“…18 In the past decade, laser ablation has proven to be a remarkably useful tool for the vaporization of metal species for use in matrix isolation studies. 2,9,19,20 This method has the advantage of transferring only a very small heat load to the sample vaporized, which makes cryogenic temperatures at the substrate easier to maintain. In addition, significant excess kinetic energy is imparted to the vaporized atoms, providing sufficient energy for kinetically unfavorable reactions.…”

Section: Methods For Depositing Matrix-isolated Guest Speciesmentioning

confidence: 99%

Matrix Isolation Infrared Spectroscopy

Willson

Andrews

2001

Handbook of Vibrational Spectroscopy

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“…A number of experimental as well as theoretical studies have been devoted to this system [1][2][3][4][5][6][7][8][9][10][11][12]; however, there are no reports on the SB of ionic structures in a non-covalent interaction with B n N n rings (except for a brief study in our previous works) [13][14][15][16].…”

Section: Introductionmentioning

confidence: 98%

Non-covalent attraction of B2N(−,0) and repulsion of B2N(+) in the B n N n ring: a quantum rotatory due to an external field

Monajjemi

2015

Theor Chem Acc

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The three radical, anion and cation forms of B 2 N (-,0,?) have been studied inside the B 12 N 12 ring and compared with one another in terms of non-covalent interaction. Not only does the symmetry breaking (SB) of B 2 N (-,0,?) exhibit an energy barrier in the scale of millihartree (10-50) (depending on whether it is in on ionic or neutral forms), but it also create several SBs through the asymmetry stretching and bending mode interactions. We have previously figured out that the double well minimum of the BNB's potential diagram is due to the lack of the proper permutational symmetry of its wave function and charge distribution. In this study, an extreme enhancement in the energy barrier of SB effect was observed upon the interaction of BNB (both radical and cation) with B 12 N 12 ring. Such amount was not observed for the isolated BNB structure. Depending on the diameter of B n N n and whether the system is ionic or radical, the interaction of B 2 N (0,-,?) with the ring is either repulsive or attractive. The BN (-,0,?) B-B 12 N 12 system works as a quantum rotatory system, which has a range of spectrum in the IR region due to the alternative attraction and repulsion forces.

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Pulsed laser-assisted reactions of boron and nitrogen atoms in a condensing nitrogen stream

Cited by 159 publications

References 1 publication

Systematic study of small BN clusters

Systematic study of small BN clusters

Matrix Isolation Infrared Spectroscopy

Non-covalent attraction of B2N(−,0) and repulsion of B2N(+) in the B n N n ring: a quantum rotatory due to an external field

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