|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
FClO3 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Chlorine |
|
|
|
Nuclear
Quadrupole Coupling Constants |
|
|
|
in
Perchloryl Fluoride |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Müller and Gerry [1] determined
the chlorine nqcc's in perchloryl fluoride and derived an equilibrium
molecular structure. Equilibrium structures were derived also by
Burczyk et al. [2] and by Cané et al. [3]. |
|
|
|
|
|
|
|
|
|
|
|
|
Calculation of the nqcc's was made on
these equilibrium structures. The results are compared with the
experimental values in Table 1. The structures are compared in
Table 2. |
|
|
|
|
|
|
|
|
|
|
|
|
| |
|
|
|
|
|
|
|
|
Table 1. Chlorine nqcc's
in FClO3 (MHz). |
|
|
|
|
|
|
|
|
|
|
|
Calc / Ref Reference is
for the structure on which calculation was made. |
|
| |
|
|
|
|
|
|
|
|
|
|
|
Calc / Ref |
|
Expt.
|
|
| |
|
|
|
|
|
|
|
|
35Cl |
Xzz |
- |
17.01 [1] |
- |
19.65624(54) [1]
|
|
|
|
|
- |
17.62 [3] |
-
|
19.647(7) [2]
|
|
|
|
|
- |
17.92 [4] |
|
|
|
|
|
|
|
|
|
|
|
|
37Cl |
Xzz |
- |
13.41 [1] |
- |
15.49254(54) [1]
|
|
|
|
|
- |
13.88 [3] |
-
|
15.484(10) [2]
|
|
|
|
|
- |
14.12 [4] |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| Table 2. Molecular
structure parameters (Å and degrees). |
|
|
|
|
|
|
|
|
re [1] |
re [3] |
re [4] |
|
|
|
|
|
|
FCl |
1.6105 |
1.598 |
1.591(5) |
|
ClO |
1.3967 |
1.400 |
1.402(2) |
|
FClO |
101.99 |
102.7 |
|
|
OClO |
|
|
115.1(2) |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
[1] H.S.P.Müller and
M.C.L.Gerry, J.Mol.Spectrosc. 175,120(1996). |
|
|
[2] C.Heldmann and H.Dreizler, Z.Naturforsch. 45a,811(1990).
|
|
|
[3] K.Burczyk, H.Bürger,
M.LeGuennec, G.Wlodarczak, and J.Demaison, J.Mol.Spectrosc.
148,65(1991). |
|
|
[4] E.Cané, L.Fusina, and
K.Burczyk, J.Mol.Spectrosc. 239,146(2006). |
|
|
|
|
|
|
|
|
|
|
|
|
E.Cané, L.Fusina, and
K.Burczyk, J.Mol.Spectrosc. 247,57(2008): re structure,
FCl = 1.610(5) Å,
ClO = 1.397(3) Å, and OClO = 115.7(4)o. |
|
|
F.Meguellati, G.Graner,
H.Bürger,
K.Burczyk, H.S.P.Müller, and H.Willner, J.Mol.Spectrosc.
164,368(1994): ro structure, FCl = 1.62235(164)
Å,
ClO = 1.39976(118) Å, and OClO = 115.946o. |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
FClO2 |
ClO2 |
Cl2O |
|
|
|
HOCl |
CH3OCl |
ClO |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Table of Contents |
|
|
|
|
|
Molecules/Chlorine |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
FClO3.html |
|
|
|
|
|
|
Last
Modified 4 May 2009 |
|
|
|
|
|
|
|
|
|
|