Rovibrational matrix elements of the multipole moments and of the polarizability of the H2 molecule in the solid phase: Effect of intermolecular potential

Mishra, A. P.; Balasubramanian, T.

doi:10.1007/s12043-001-0023-y

Cited by 3 publications

(2 citation statements)

References 21 publications

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“…One cannot use the gas phase matrix elements of multipole moments and of polarizability of dopants in the solid phase, unlike for hydrogen molecules for which solid state interactions are negligible. 33 Hinde et al 26 has observed that the rotational constant B for N 2 in solid para-H 2 crystal is 10% lower than the B value in the gas phase due to crystal field effects. The formulas given in the present work are applicable to double transitions in which the dopant molecules are initially in the Jϭ0 or 1 state.…”

Section: Resultsmentioning

confidence: 99%

Absorption intensities of the multipole-field-induced double transitions involving a homonuclear-heteronuclear pair of hydrogen molecules in condensed phase

Mishra

Field

2003

Phys. Rev. B

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Theoretical expressions are derived for the integrated absorption coefficients of various zero-phonon double transitions involving a homonuclear-heteronuclear pair of hydrogen molecules in condensed phase. The formulas given in this paper can be applied to transitions in the absorption spectra of solid parahydrogen ͑or orthodeuterium, or solid HD, HT, etc.͒ matrices that contain a low concentration of impurity molecules which do not possess a permanent dipole moment ͑e.g., N 2 ).

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Section: Resultsmentioning

confidence: 99%

Absorption intensities of the multipole-field-induced double transitions involving a homonuclear-heteronuclear pair of hydrogen molecules in condensed phase

Mishra

Field

2003

Phys. Rev. B

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“…We hope to stimulate further studies, both experimental and theoretical, of other molecular solids. In view of the availability of very accurate rovibrational matrix elements of multipole moments 19,28,30,31 up to rank 11 for all isotopomers of hydrogen and the high sensitivity recently achieved in absorption experiments, 27,29 together with the ease of growing high optical quality hydrogen crystals by the rapid vapor deposition method, 32 new and accurate measurements of the infrared spectra of solid hydrogen of all isotopic variants are desirable.…”

Section: Discussionmentioning

confidence: 99%

Absorption intensities of the multipole-field-induced zero-phonon transitions in solid HD, HT, and DT

Mishra¹,

Field²,

Rao³

et al. 2003

Phys. Rev. B

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Closed-form theoretical expressions are derived for the integrated absorption coefficient of various zerophonon single and double transitions in heteronuclear isotopic variants of hydrogen in condensed phase. Theoretical analysis predicts a different kind of double transition in the spectra of solid HD, HT, and DT, where the rotational energy of one molecule changes by three quanta and the rotational energy of another molecule simultaneously changes by at least three quanta. The expressions for double transitions given in this paper may, for example, be applied to double transitions involving para-H 2 -HD or ortho-D 2 -HD pairs.

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Absorption intensities of multipole-field-induced double transitions involving orthohydrogen pairs in a solid parahydrogen crystal

2004

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Orthohydrogen molecules exhibit quantum diffusion through a solid parahydrogen lattice. At very low orthohydrogen concentrations ͑ϳ1%͒, stable and isolated ortho-H 2 pairs are formed in the para-H 2 crystal. In this paper, theoretical expressions are derived for the integrated absorption coefficients of various multipolefield-induced zero-phonon double transitions in an isolated pair of ortho-H 2 molecules embedded in para-H 2 crystal. Although, the double transitions involving ortho-H 2 pairs consist entirely of fine structures (FS), the intensity formulas derived here are for the line as a whole, except for Q v 1 ͑1͒ + Q v k ͑1͒ transition in which the individual components are separately treated. Since the J = 1 rotational state pair splittings of various ground state FS components are well known, experimentalists can compare the observed intensities to the theoretical calculations for the line as a whole (given in units of per molecular-pair) by reducing the observed intensities of each FS components to per molecular pair and summing them together. The formulas given in this paper can be applied to double transitions involving a pair of J = 1 dopant molecules (with zero permanent dipole moment) embedded in solid parahydrogen (or orthodeuterium) matrices. Furthermore, it is shown that the intensity formulas given for an isolated pair, after generalization, provide good estimates of the intensities of double transitions in a nearly pure ortho-H 2 crystal.

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Rovibrational matrix elements of the multipole moments and of the polarizability of the H2 molecule in the solid phase: Effect of intermolecular potential

Cited by 3 publications

References 21 publications

Absorption intensities of the multipole-field-induced double transitions involving a homonuclear-heteronuclear pair of hydrogen molecules in condensed phase

Absorption intensities of the multipole-field-induced double transitions involving a homonuclear-heteronuclear pair of hydrogen molecules in condensed phase

Absorption intensities of the multipole-field-induced zero-phonon transitions in solid HD, HT, and DT

Absorption intensities of multipole-field-induced double transitions involving orthohydrogen pairs in a solid parahydrogen crystal

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