The emission spectrum of B2

Bredohl, H.; Dubois, I.; Nzohabonayo, Pierre

doi:10.1016/0022-2852(82)90168-0

“…15,16,26,[38][39][40][41] A comparison between our bond lengths and experimental values 42,43 show that their respective differences are 2.3% and 1.6%. For Al 2 ͑ 3 ⌸ u ͒ and B 2 ͑ 3 ⌺ g − ͒ dimers, their equilibrium separations calculated are 2.7652 and 1.6159 Å, respectively.…”

Section: A Geometrymentioning

confidence: 92%

Structures and stability of B-doped Al clusters: AlnB and AlnB2 (n=1–7)

Jiang¹,

Cheng-Jun²

2005

The Journal of Chemical Physics

View full text Add to dashboard Cite

Various structural possibilities for Al(n)B(m) (n=1-7, m=1-2) neutral isomers were investigated using B3LYP6-311G(d) and CCSD(T)6-311G(d) methods. Our calculations predicted the existence of a number of previously unknown isomers. The B atom favors to locate over/inside of all clusters in this series. All structures of the Al(n)B (n=2-7) may be derived from capping/putting a B atom over/inside the Al(n) cluster. All Al(n)B(2) (n=1-5) may be understood as two substitutions of Al atoms by B atoms in the Al(n+2) molecule. The strong B-B bond is a dominant factor in the building-up principle of mixed Al(n)B(2) neutral clusters. The second difference in energy showed that the Al(n)B(m) clusters with even n+m are more stable than those with odd n+m. Our results and analyses revealed that the mixed Al-B clusters exhibit aromatic behaviors.

show abstract

“…The pairs of peaks spaced byzi 10 nm appearing in the 315 to 355 nm region are clearly due to the B 2 (A 3 7, -+-X 3 1gg) Douglas-Herzberg transition; these results are summarized in Table II, along with the gas phase B 2 transition energies. 59 Table III is a collection of experimentally and theoretically derived spectroscopic constants for the ground 31g', and first few excited 3 Xu" and 3 1Iu symmetry states of 11B 2 . We direct the reader to figure 1 of reference [65] for a graphical summary of the associated potential energy curves.…”

Section: Amentioning

confidence: 99%

Electronic spectroscopy of B atoms and B2 molecules isolated in para-H2, normal-D2, Ne, Ar, Kr, and Xe matrices

Tam

¹

,

Macler

²

,

DeRose

³

et al. 2000

The Journal of Chemical Physics

View full text Add to dashboard Cite

Public reporting burden for this collection of information is estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining the data needed, and completing and reviewing this collection of information. Send comments regarding this burden estimate or any other aspect of this collection of information, including suggestions for reducing this burden to Department of Defense, Washington Headquarters Services, Directorate for Information ABSTRACTWe report spectroscopic observations on B atoms isolated in cryogenic parahydrogen (pH 2 ), normal deuterium (nD 2 ), Ne, Ar, Kr, and Xe matrices, and of B 2 molecules in Ne, Ar, Kr, and Xe matrices. The 2s 2 3s( 2 S) *--2s 2 2p( 2 P) B atom Rydberg absorption suffers large gas-tomatrix blue shifts, increasing from +3000 to +7000 cm-1 in the host sequence: Xe < Kr < Ar t Ne z nD 2 t pH 2 . Much smaller shifts are observed for the 2s2p 2 ( 2 D) +-2s 2 2p( 2 P) B atom coreto-valence transition. We assign pairs-of absorption peaks spaced by • 10 nm in the 315 to 355,*4 -------)egion to the B 2 (A 3Z," < X 3 Zg-) Douglas-Herzberg transition. We assign a much weaker 1•q'i,# progression in the 260 to 300 nrm region to the B 2 (2) l' --X + Z transition. We report a nove progression of strong peaks in the 180 to 200 nm region which we suspect may be due to B 2 molecules, but which remains unassigned. Ultraviolet (UV) absorption spectra of B/pH 2 solids show two strong peaks at 216.6 and 208.9 nm, which we assign to the matrix perturbed 2s 2 3s( 2 S) +-2s22p( 2 P) and 2s2p 2 ( 2 D) <-2s 2 2p( 2 P) B atom absorptions, respectively. This assignment is

show abstract

“…Gas phase data from ref. [59]. The gas phase averages are calculated assuming natural isotopic abundance ratio of 1 0 B:"1B = 1:4, and hence l°B"B:l 1 B 2 = 1:2.…”

Section: Amentioning

confidence: 99%

Electronic Spectroscopy of B Atoms and B2 Molecules Isolated in Para-H2, Normal-D2, Ne, Ar, Kr, and Xe Matrices

Tam¹,

Macler²,

DeRose³

et al. 2000

1

4

0

View full text Add to dashboard Cite

Public reporting burden for this collection of information is estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining the data needed, and completing and reviewing this collection of information. Send comments regarding this burden estimate or any other aspect of this collection of information, including suggestions for reducing this burden to Department of Defense, Washington Headquarters Services, Directorate for Information ABSTRACTWe report spectroscopic observations on B atoms isolated in cryogenic parahydrogen (pH 2 ), normal deuterium (nD 2 ), Ne, Ar, Kr, and Xe matrices, and of B 2 molecules in Ne, Ar, Kr, and Xe matrices. The 2s 2 3s( 2 S) *--2s 2 2p( 2 P) B atom Rydberg absorption suffers large gas-tomatrix blue shifts, increasing from +3000 to +7000 cm-1 in the host sequence: Xe < Kr < Ar t Ne z nD 2 t pH 2 . Much smaller shifts are observed for the 2s2p 2 ( 2 D) +-2s 2 2p( 2 P) B atom coreto-valence transition. We assign pairs-of absorption peaks spaced by • 10 nm in the 315 to 355,*4 -------)egion to the B 2 (A 3Z," < X 3 Zg-) Douglas-Herzberg transition. We assign a much weaker 1•q'i,# progression in the 260 to 300 nrm region to the B 2 (2) l' --X + Z transition. We report a nove progression of strong peaks in the 180 to 200 nm region which we suspect may be due to B 2 molecules, but which remains unassigned. Ultraviolet (UV) absorption spectra of B/pH 2 solids show two strong peaks at 216.6 and 208.9 nm, which we assign to the matrix perturbed 2s 2 3s( 2 S) +-2s22p( 2 P) and 2s2p 2 ( 2 D) <-2s 2 2p( 2 P) B atom absorptions, respectively. This assignment is

show abstract

The emission spectrum of B2

Cited by 20 publications

References 7 publications

Structures and stability of B-doped Al clusters: AlnB and AlnB2 (n=1–7)

Structures and stability of B-doped Al clusters: AlnB and AlnB2 (n=1–7)

Electronic spectroscopy of B atoms and B2 molecules isolated in para-H2, normal-D2, Ne, Ar, Kr, and Xe matrices

Electronic Spectroscopy of B Atoms and B2 Molecules Isolated in Para-H2, Normal-D2, Ne, Ar, Kr, and Xe Matrices

Contact Info

Product

Resources

About