The vibrational structure and predissociation of the B state of HeBr2 using a simple theoretical method

Jung, Jaehoon; Sun, Hosung

doi:10.1016/s0009-2614(01)00133-6

Cited by 5 publications

(6 citation statements)

References 14 publications

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“…The detailed expressions for H SCF and are not presented here for brevity. 18,19 Now we determine a final continuum (or dissociating) state wave function, (r, R, θ). Here we use a vibrationally adiabatic approximation, which is (10) where (r) is the stretching vibrational wave function of the state v' of free AB.…”

Section: Summary Of Theorymentioning

confidence: 99%

“…Since the early stage of predissociation research, [3][4][5][6] the vibrational predissociation of I2(B)-Ne(in the excited 3 Π (0u + ) electronic state 7 ) has been most frequently investigated. [8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23][24] The first investigation by Levy's group measured predissociation rates and some excited vibrational energy levels of I2(B)-Ne. [3][4][5][6] The accurate vibrational predissociation rates (or lifetimes) of I2(B)-Ne(v1, 0, 0) were first reported by Zewail and coworkers.…”

Section: Introductionmentioning

confidence: 99%

“…20 Theoretical investigations on vibrational predissociation of I 2 (B)-Ne have also been carried out extensively. [13][14][15][16][17][18][19]21,24 The most widely used potential energy function is a pairwise sum of the potentials of diatomic I-I and of Ne-I. The I-I potential energy function is empirically determined from the Zewail's experiment.…”

Section: Introductionmentioning

confidence: 99%

“…The details of the theoretical method have been reported already. 18,19 In this method the predissociation is viewed as a half-collision process. Therefore we start our calculation to determine the vibrational wave functions of the bound I 2 (B)-Ne in electronically excited B state.…”

Section: Introductionmentioning

confidence: 99%

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Rotational State Distributions of I₂(B) from Vibrational Predissociation of I₂(B)-Ne

2004

Bulletin of the Korean Chemical Society

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The vibrational predissociation of triatomic, i.e., atom-diatom, van der Waals complexes in transient electronic excited state has been widely investigated. The predissociation rates or lifetimes are major concerns of the previous studies. Experimentally rotational state distributions of diatomic product are hardly investigated and few theoretical stuides on rotational state distributions have appeared in literature. In this work, choosing the frequently studied I 2 (B)-Ne complex as an example, we investigate the change of rotational state distributions of I 2 (B) produced from predissociation of the various initial states of I 2 (B)-Ne. The present study on the rotational distributions indicates that rotational state distributions depend significantly on the predissociation energy and the van der Waals vibrational modes of I 2 (B)-Ne. That is, the initial state dependency of rotational state distributions is extensively discussed.

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Section: Summary Of Theorymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Rotational State Distributions of I₂(B) from Vibrational Predissociation of I₂(B)-Ne

2004

Bulletin of the Korean Chemical Society

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“…The details of the theoretical method called VSCF-DWB-IOS have been reported already. [31][32][33] In this method the predissociation is viewed as a half-collision process. We start with determining the excited vibrational states of Ar-CO 2 .…”

Section: Introductionmentioning

confidence: 99%

Vibrational Structure and Predissociation of Ar-CO₂by CO₂Symmetric Stretching Mode Coupled with Ar Motion

2002

Bulletin of the Korean Chemical Society

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The computationally simple quantum mechanical method (VSCF-DWB-IOS) has been applied to studying the Ar-CO 2 vibrational predissociation phenomenon. The new methodology utilizes the vibrational self-consistent field method to determine the vibrational structure of the van der Waals complex, the distorted-wave Born approximation for dissociating process, and the infinite-order sudden approximation for the continuum dissociating product of CO 2. The dissociation due to the coupling of the symmetric stretching vibrational motion of CO 2 with the motion of the Ar van der Waals mode has been extensively investigated. The lifetimes of transient excited vibrational states, linewidths of absorption peak, and the rotational state distributions of the product, CO 2 have been computed. It has been found that the lifetime of the Ar-CO 2 in excited vibrational state is very long compared with that of triatomic van der Waals complexes and the product CO 2 carries a major portion of dissociation energy as a rotational energy.

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Vibrational predissociation rates of I2(B)–Ne in excited van der Waals modes

Cho

Sun

2004

Chemical Physics

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The vibrational structure and predissociation of the B state of HeBr2 using a simple theoretical method

Cited by 5 publications

References 14 publications

Rotational State Distributions of I₂(B) from Vibrational Predissociation of I₂(B)-Ne

Rotational State Distributions of I₂(B) from Vibrational Predissociation of I₂(B)-Ne

Vibrational Structure and Predissociation of Ar-CO₂by CO₂Symmetric Stretching Mode Coupled with Ar Motion

Vibrational predissociation rates of I2(B)–Ne in excited van der Waals modes

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The vibrational structure and predissociation of the B state of HeBr2 using a simple theoretical method

Cited by 5 publications

References 14 publications

Rotational State Distributions of I2(B) from Vibrational Predissociation of I2(B)-Ne

Rotational State Distributions of I2(B) from Vibrational Predissociation of I2(B)-Ne

Vibrational Structure and Predissociation of Ar-CO2by CO2Symmetric Stretching Mode Coupled with Ar Motion

Vibrational predissociation rates of I2(B)–Ne in excited van der Waals modes

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Rotational State Distributions of I₂(B) from Vibrational Predissociation of I₂(B)-Ne

Rotational State Distributions of I₂(B) from Vibrational Predissociation of I₂(B)-Ne

Vibrational Structure and Predissociation of Ar-CO₂by CO₂Symmetric Stretching Mode Coupled with Ar Motion