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CBr Bond Length
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Calibration of the ropt = MP2/aug-cc-pVTZ(G03) model for calculation of approximate equilibrium CF bond lengths.
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Figure 1. ropt versus re PDF
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Linear regression: ~ re (Å) = 0.99078 × ropt + 0.02591, RSD = 0.0003 Å |
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Table 1. CBr Bond Lengths (Å). ropt
= MP2/aug-cc-pVTZ(G03) |
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Molecule |
re |
ropt
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~ re |
|re - ~ re| |
Ref. |
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BrCN |
1.7875 |
1.7778 |
1.7873 |
0.0002 |
[1] |
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HCCBr |
1.7908 |
1.7815 |
1.7910 |
0.0002 |
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CH2CHBr |
1.8835 |
1.8750 |
1.8836 |
0.0001 |
[2] |
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CH2Br2 |
1.9235 |
1.9155 |
1.9238 |
0.0003 |
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CH3Br |
1.9340 |
1.9255 |
1.9336 |
0.0003 |
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AVG |
0.0002 |
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RMS |
0.0002 |
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[1] F.Tamassia, C.Delgi Esposti, L.Dore, and G.Cazzoli, J.Mol.Spectrosc. 174,59(1995). |
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[2] N.Zvereva-Loëte, J.Demaison, and H.D.Rudolph, J.Mol.Spectrosc. 236,248(2006). |
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References not given above are given on the following pages: |
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HCCBr |
CH2Br2 |
CH3Br |
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Table of Contents |
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Lille_CBr.html |
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Last
Modified 25 Feb 2007 |
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