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CH3CAs |
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Arsenic |
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Nuclear
Quadrupole Coupling Constants |
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in
Ethylidynearsine |
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Calculation of the 75As
nqcc in CH3CAs was made on the re, rz,
and ro structures of Dréan et al. [1,2]. These
nqcc's are given below in Table 1. Structure parameters are given
in Table 2. |
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Table 1. Arsenic nqcc
in CH3CAs (MHz). Calculation was made on
the re [1], rz [1], and ro [2]
structures. |
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Calc. / Struct. |
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Expt. |
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75As |
Xzz |
- |
147.1 / re |
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146.2 / rz |
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145.3 / ro |
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Table 2. CH3CAs.
Molecular structure parameters (Å and degrees). |
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re [1] |
rese [3] |
rz [1] |
ro [2] |
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CH |
1.091(3) |
1.0910(3) |
1.097 |
1.105(7) |
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CC |
1.465(2) |
1.4634(2) |
1.467 |
1.465(2) |
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CAs |
1.658(2) |
1.6585(2) |
1.659 |
1.660(1) |
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HCC |
110.6(2) |
110.575(10) |
110.62 |
110.55(22) |
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[1] P.Dréan, H.Bürger,
J.Demaison, and J.E.Boggs, J.Mol.Struct. 485-486,51(1999). |
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[2] P.Dréan, G.Wlodarezak,
J.Demaison, J.-C.Guillemin, and L.Lassalle, J.Mol.Struct.
349,175(1995). |
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[3] J.Demaison, H.Møllendal,
and J.-C.Guillemin, J.Mol.Struct. 930,21(2009). |
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Table of Contents |
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Molecules/Arsenic |
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CH3CAs.html |
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Last
Modified 2 Oct 2009 |
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