the KrCl 2 (B,v B = 8-10) complexes are (230.2 ± 4.4) cm
−1 (v B = 8) Ä (223.8 ± 3.1)
cm
−1 (v B = 10), and that of XeCl 2 (B, v B = 10,11) is 277(2) cm
−1 . Rotational distributions of the VP products show that IVR could occur in the VP process. Lifetime
of the XeCl 2 (B, v B = 10) complex is s ! 50 ps [70].
6.3.2.3 The RgBr 2 vdW Complexes
The bound-bound Br 2 ðA1 u
3 P
ð Þ
X0
þ
g (
1 R)) transition takes place, but its dipole
moment and FCFs are low, s rad = 3.5Á10
−4 s for Br 2 (A, v A = 11) [51]. To the best of
the author’s knowledge, there are no data on the RgBr 2 (A) complexes in the
literature.
The RgBr 2 (B ← X), Rg = He, Ne, Ar transitions have been observed, and some
spectroscopic characteristics of the RgBr 2 (B, X) complexes as well as the
RgBr 2 (B) dynamics have been studied.
There are
79 Br 2 ,
79 Br
81 Br, and
81 Br 2 isotopes in the nature by natural occurrence * (1 : 2 : 1) [51]. Vibrational constants, x e , x e x e , of the isotopes differ in
the third character.
The HeBr 2 complexes. Some spectroscopic characteristics and data on PES and
vdW vibrational wavefunctions of the HeBr 2 (X,v X = 0,n X ) complexes are given in
Table 6.4 and Figs. 6.5, 6.6 and 6.7.
According to calculations carried out in [74], the n X = 0,1 vdW states are bound
(E = −16.46 cm
−1 relative to dissociation limit) and represent the symmetric and
antisymmetric linear combinations of the two states that have the helium atom
localized near one of the Br atoms, h = 0°, 180°. The n X = 2 state is bound also
Fig. 6.4 The ArCl 2 (B,v B ) EP probability as a function of v B (see [25]) (Reprinted with permission
C.R. Bieler, K.C Janda, R. Hernández-Lamoneda, O. Roncero, NeCl 2 and ArCl 2 : Transition from
direct vibrational predissociation to intramolecular vibrational relaxation and electronic nonadiabatic effects. J. Phys. Chem. A. 114, 3050–3059 (2010). https://doi.org/10.1021/jp906392m.
Copyright 2010 American Chemical Society)
210
6 Weakly-Bound Complexes and Clusters
−1 (v B = 8) Ä (223.8 ± 3.1)
cm
−1 (v B = 10), and that of XeCl 2 (B, v B = 10,11) is 277(2) cm
−1 . Rotational distributions of the VP products show that IVR could occur in the VP process. Lifetime
of the XeCl 2 (B, v B = 10) complex is s ! 50 ps [70].
6.3.2.3 The RgBr 2 vdW Complexes
The bound-bound Br 2 ðA1 u
3 P
ð Þ
X0
þ
g (
1 R)) transition takes place, but its dipole
moment and FCFs are low, s rad = 3.5Á10
−4 s for Br 2 (A, v A = 11) [51]. To the best of
the author’s knowledge, there are no data on the RgBr 2 (A) complexes in the
literature.
The RgBr 2 (B ← X), Rg = He, Ne, Ar transitions have been observed, and some
spectroscopic characteristics of the RgBr 2 (B, X) complexes as well as the
RgBr 2 (B) dynamics have been studied.
There are
79 Br 2 ,
79 Br
81 Br, and
81 Br 2 isotopes in the nature by natural occurrence * (1 : 2 : 1) [51]. Vibrational constants, x e , x e x e , of the isotopes differ in
the third character.
The HeBr 2 complexes. Some spectroscopic characteristics and data on PES and
vdW vibrational wavefunctions of the HeBr 2 (X,v X = 0,n X ) complexes are given in
Table 6.4 and Figs. 6.5, 6.6 and 6.7.
According to calculations carried out in [74], the n X = 0,1 vdW states are bound
(E = −16.46 cm
−1 relative to dissociation limit) and represent the symmetric and
antisymmetric linear combinations of the two states that have the helium atom
localized near one of the Br atoms, h = 0°, 180°. The n X = 2 state is bound also
Fig. 6.4 The ArCl 2 (B,v B ) EP probability as a function of v B (see [25]) (Reprinted with permission
C.R. Bieler, K.C Janda, R. Hernández-Lamoneda, O. Roncero, NeCl 2 and ArCl 2 : Transition from
direct vibrational predissociation to intramolecular vibrational relaxation and electronic nonadiabatic effects. J. Phys. Chem. A. 114, 3050–3059 (2010). https://doi.org/10.1021/jp906392m.
Copyright 2010 American Chemical Society)
210
6 Weakly-Bound Complexes and Clusters