共 30 条
Beryllium Dimer-Caught in the Act of Bonding
被引:192
作者:
Merritt, Jeremy M.
[1
]
Bondybey, Vladimir E.
[2
]
Heaven, Michael C.
[1
]
机构:
[1] Emory Univ, Dept Chem, Atlanta, GA 30322 USA
[2] Tech Univ Munich, D-8046 Garching, Germany
来源:
关键词:
GROUND-STATE;
CONFIGURATION-INTERACTION;
SPECTROSCOPIC CONSTANTS;
MOLECULAR-STRUCTURE;
POTENTIAL CURVES;
BINDING-ENERGY;
BE-2;
ATOMS;
D O I:
10.1126/science.1174326
中图分类号:
O [数理科学和化学];
P [天文学、地球科学];
Q [生物科学];
N [自然科学总论];
学科分类号:
07 ;
0710 ;
09 ;
摘要:
The beryllium dimer is a deceptively simple molecule that, in spite of having only eight electrons, poses difficult challenges for ab initio quantum chemical methods. More than 100 theoretical investigations of the beryllium dimer have been published, reporting a wide range of bond lengths and dissociation energies. In contrast, there have been only a handful of experimental studies that provide data against which these models could be tested. Ultimately, the uncertain extrapolation behavior associated with the available data has prevented quantitative comparisons with theory. In our experiment, we resolve this issue by recording and analyzing spectra that sample all the bound vibrational levels of the beryllium dimer molecule's electronic ground state. After more than 70 years of research on this problem, the experimental data and theoretical models for the dimer are finally reconciled.
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页码:1548 / 1551
页数:4
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