The UV Spectrum of BeF

Tai, G. X.; Verma, R. D.

doi:10.1006/jmsp.1995.1211

Cited by 10 publications

(11 citation statements)

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“…The ab initio data points were fitted using the LEVEL program (version 8.0) 35 to obtain the bound rovibronic levels, spectroscopic constants (Table 1), FC factors and radiative lifetimes. The calculated v = 1-v = 0 energy separation in the X state is 1235.11 cm À1 in excellent agreement with the experimental value 16 of 1246.70 cm À1 . A similar relative error is found in the values of T 00 , where the experimental value is 33 187 cm À1 and the calculated one is 33 511 cm À1 (0.9% discrepancy).…”

Section: Resultssupporting

confidence: 85%

Ultracold fluorine production via Doppler cooled BeF

Lane

2012

Phys. Chem. Chem. Phys.

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Large parts of the periodic table cannot be cooled by current laser-based methods. We investigate whether zero energy fragmentation of laser cooled fluorides is a potential source of ultracold fluorine atoms. We report new ab initio calculations on the lowest electronic states of the BeF diatomic molecule including spin-orbit coupling, the calculated minima for the valence electronic states being within 1 pm of the spectroscopic values. A four colour cooling scheme based on the A(2)Π← X(2)Σ(+) transition is shown to be feasible for this molecule. Multi-Reference Configuration Interaction (MRCI) potentials of the lowest energy Rydberg states are reported for the first time and found to be in good agreement with experimental data. A series of multi-pulse excitation schemes from a single rovibrational level of the cooled molecule are proposed to produce cold fluorine atoms.

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Section: Resultssupporting

confidence: 85%

Ultracold fluorine production via Doppler cooled BeF

Lane

2012

Phys. Chem. Chem. Phys.

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“…SEVI is an anion photoelectron spectroscopy technique, where kinetic energies and angular distributions of photodetached electrons are measured to determine the energetics of the process Consequently, the properties of neutral BeF are of importance for the assignment and interpretation of the data. Previously, BeF has been characterized by means of mass spectrometry , and high-resolution electronic spectroscopy. , The spectroscopic data show the ground state of BeF to be of X 2 Σ + symmetry, as expected from a simple ionic bonding model (formally, Be + (2s)F – (2p 6 )). Accurate vibrational and rotational constants have been determined for the ground state .…”

mentioning

confidence: 83%

“…Previously, BeF has been characterized by means of mass spectrometry , and high-resolution electronic spectroscopy. , The spectroscopic data show the ground state of BeF to be of X 2 Σ + symmetry, as expected from a simple ionic bonding model (formally, Be + (2s)F – (2p 6 )). Accurate vibrational and rotational constants have been determined for the ground state . The bond energy from mass spectrometry measurements is somewhat uncertain, with reported values of 50500 and 47200 cm –1 .…”

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confidence: 83%

Dative Bonding between Closed-Shell Atoms: The BeF^– Anion

Green

Jean

2018

J. Phys. Chem. Lett.

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Beryllium can exhibit unusually strong attractive interactions under conditions where it is nominally a closed-shell atom. Two prominent examples are the Be dimer and the He-BeO complex. In the present study, we examine the bonding of the closed-shell Be-F anion. This molecule preserves the closed-shell character of the individual atoms as the electron affinity of F is high (328.16 kJ mol) while that of Be is negative. Photodetachment spectroscopy was used to determine the vibrational frequency for BeF and the electron affinity of BeF (104.2 kJ mol). The latter has been used to determine a lower bound of 343 kJ mol for the bond energy of BeF. Electronic structure calculations yielded predictions that were in good agreement with the observed data. A natural bond orbital analysis shows that BeF is primarily bound by a dative interaction.

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“…In recent years, very accurate data of rotational spectra in diatomic molecular bands became available thanks to modern experimental techniques [1][2][3][4][5][6][7][8]. What is measured in such an experiment is the so-called R-and P-process [9]…”

Section: Introductionmentioning

confidence: 99%

“…These quantities are the 'inter-band' ∆I = 1 (dipole) transition energies between a higher (V = H) and a lower (V = L) vibrational band and are usually measured in the unit of wave number (cm −1 ). The coefficients in the formula (3) have been fitted to such experimental data [1][2][3][4][5][6][7][8]. However, one can take a different approach [10].…”

Section: Introductionmentioning

confidence: 99%

Analysis of Diatomic Molecular Rotational Spectra

Hara¹,

Lalazissis²

2001

Phys. Scr.

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Rotational spectra of diatomic molecules measured in the high-precision experiments are analyzed. Such a spectrum is usually fitted by an 8th order polynomial in spin. In fact, from the theoretical point of view, the rotational spectrum is expected to be a smooth function of spin. Thus, fitting the rotational spectrum in terms of a low order polynomial in spin seems to be justified. However, this is not what we found in the present work. We show that the measured spectrum is not necessarily a smooth function of the spin, which is quite surprising. Whether or not it indicates the presence of some hidden physics is an open question.

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The UV Spectrum of BeF

Cited by 10 publications

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Ultracold fluorine production via Doppler cooled BeF

Ultracold fluorine production via Doppler cooled BeF

Dative Bonding between Closed-Shell Atoms: The BeF^– Anion

Analysis of Diatomic Molecular Rotational Spectra

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The UV Spectrum of BeF

Cited by 10 publications

References 0 publications

Ultracold fluorine production via Doppler cooled BeF

Ultracold fluorine production via Doppler cooled BeF

Dative Bonding between Closed-Shell Atoms: The BeF– Anion

Analysis of Diatomic Molecular Rotational Spectra

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Dative Bonding between Closed-Shell Atoms: The BeF^– Anion