The NeBr 2 complexes. Data on the dissociation and binding energies as well as
equilibrium distances of the NeBr 2 (X, v X = 0) linear and T-shaped conformers, is
given in Table 6.4.
According to the best results of semiempirical calculations, the binding energies
of the T-shaped NeBr 2 (B, v B ) complex lie in the (64.23–62.28) cm
−1 range [77].
The bound-free Ne
79 Br 2 (B, v B = 14 ← X,v X = 0) transition in the linear configuration was observed in [79]. The T-shaped NeBr 2 (B, v B ) complex undergoes VP and
EP [83–85]. The Ne
79 Br 2 (B, v B ) complex lifetimes have been measured in the
v B = 10–20 [83], and 15–29 [84] ranges for the Dv B = 1 VP channel, and 19 ps
(v B = 27) −15 ps (v B = 29) for the Dv B = 2 VP channel. The lifetime decreases
from 312 ps (v B = 10) with v B , and there are some features in this dependency:
There are sharp decrease of the lifetime at v B = 11, 13, 14 due to EP rate increase
caused by the He
79 Br 2 (B, v B ) ! He
79 Br 2 (
3 P(1 g , 2 g )) ! He +
79 Br +
79 Br predissociation. The He
79 Br 2 (B
3 P(0
þ
u * C
1 P(1 u )) coupling is much weaker since to
different multiplicities of the states [85]. The EP rate is (0–15)% of total predissociation rate except those at v B = 11, 13, 14 [83].
The authors of [84] believed that they found the He
79 Br 2 (E0
þ
g , v E
B, v B )
transitions in the complexes, and the He
79
Br 2 (E, v E = 3) binding energy is 82 cm
−1 .
The ArBr 2 complexes. According to the results of calculations, both linear and Tshaped configuration exist in the ArBr 2 (X, v X ) complexes [72, 81] (see Table 6.4).
According to data of [72], the n X = 0 eigenfunction corresponds to linear configuration, while the n X = 1 to the T-shaped configuration (see Fig. 6.5). To the best of
the author’s knowledge, there are no data on the T-shaped ArBr 2 (B, v B ) complexes
in the literature. The bound-free Ar
79 Br 2 (B, v B = 14 ← X, v X = 0) transition in the
linear configuration was observed in [79].
6.3.2.4 The RgI 2 vdW Complexes
The data on spectroscopic characteristics of ground X, valence B and IP E state
vdW complexes (dissociation energies, topologies of PESs, energies of vdW levels)
and data on the RgI 2 (B and E) decay published up to the mid-2017, have been
analyzed in detail in Chapter 6 of [18]. Therefore, in this book, a short review of
these data and an analysis of the data obtained after mid-2017 are presented. The
spectroscopic parameters of the RgI 2 complexes, Rg = He, Ne, Ar, Kr are given in
Table 6.5.
The HeI 2 complexes. High-level ab initio calculations of HeI 2 (X0
þ
g , B0
þ
u and
E0
þ
g ) complex PESs have been performed in [86–88] (see [89], also). The Tshaped, linear as well as ‘free-rotor’ complexes which vibrational wave functions
are delocalized over h = 0– 360° vdW HeI 2 complexes have been analyzed. It has
been shown in particular that:
– the degenerate X, v X = 0, n X = 0, 1 vdW levels (E = −15.72 cm
−1 relative to
dissociation limit) are localized in the linear well, whereas n X = 2 one
214
6 Weakly-Bound Complexes and Clusters
equilibrium distances of the NeBr 2 (X, v X = 0) linear and T-shaped conformers, is
given in Table 6.4.
According to the best results of semiempirical calculations, the binding energies
of the T-shaped NeBr 2 (B, v B ) complex lie in the (64.23–62.28) cm
−1 range [77].
The bound-free Ne
79 Br 2 (B, v B = 14 ← X,v X = 0) transition in the linear configuration was observed in [79]. The T-shaped NeBr 2 (B, v B ) complex undergoes VP and
EP [83–85]. The Ne
79 Br 2 (B, v B ) complex lifetimes have been measured in the
v B = 10–20 [83], and 15–29 [84] ranges for the Dv B = 1 VP channel, and 19 ps
(v B = 27) −15 ps (v B = 29) for the Dv B = 2 VP channel. The lifetime decreases
from 312 ps (v B = 10) with v B , and there are some features in this dependency:
There are sharp decrease of the lifetime at v B = 11, 13, 14 due to EP rate increase
caused by the He
79 Br 2 (B, v B ) ! He
79 Br 2 (
3 P(1 g , 2 g )) ! He +
79 Br +
79 Br predissociation. The He
79 Br 2 (B
3 P(0
þ
u * C
1 P(1 u )) coupling is much weaker since to
different multiplicities of the states [85]. The EP rate is (0–15)% of total predissociation rate except those at v B = 11, 13, 14 [83].
The authors of [84] believed that they found the He
79 Br 2 (E0
þ
g , v E
B, v B )
transitions in the complexes, and the He
79
Br 2 (E, v E = 3) binding energy is 82 cm
−1 .
The ArBr 2 complexes. According to the results of calculations, both linear and Tshaped configuration exist in the ArBr 2 (X, v X ) complexes [72, 81] (see Table 6.4).
According to data of [72], the n X = 0 eigenfunction corresponds to linear configuration, while the n X = 1 to the T-shaped configuration (see Fig. 6.5). To the best of
the author’s knowledge, there are no data on the T-shaped ArBr 2 (B, v B ) complexes
in the literature. The bound-free Ar
79 Br 2 (B, v B = 14 ← X, v X = 0) transition in the
linear configuration was observed in [79].
6.3.2.4 The RgI 2 vdW Complexes
The data on spectroscopic characteristics of ground X, valence B and IP E state
vdW complexes (dissociation energies, topologies of PESs, energies of vdW levels)
and data on the RgI 2 (B and E) decay published up to the mid-2017, have been
analyzed in detail in Chapter 6 of [18]. Therefore, in this book, a short review of
these data and an analysis of the data obtained after mid-2017 are presented. The
spectroscopic parameters of the RgI 2 complexes, Rg = He, Ne, Ar, Kr are given in
Table 6.5.
The HeI 2 complexes. High-level ab initio calculations of HeI 2 (X0
þ
g , B0
þ
u and
E0
þ
g ) complex PESs have been performed in [86–88] (see [89], also). The Tshaped, linear as well as ‘free-rotor’ complexes which vibrational wave functions
are delocalized over h = 0– 360° vdW HeI 2 complexes have been analyzed. It has
been shown in particular that:
– the degenerate X, v X = 0, n X = 0, 1 vdW levels (E = −15.72 cm
−1 relative to
dissociation limit) are localized in the linear well, whereas n X = 2 one
214
6 Weakly-Bound Complexes and Clusters