Nuclear-spin conversion analysis of 
 
 ν
 
 2 + 
 
 ν
 
 4 combination band of crystalline methane in phase II

Sugimoto, Tetsuya; Yamakawa, Koichiro

doi:10.1063/5.0031272

Cited by 2 publications

(1 citation statement)

References 14 publications

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“…Whereas NMR directly probes the nuclear spin, the other methods enable one to resolve the rotational states of ortho - and para -H 2 . In the nuclear-spin conversion study of polyatomic molecules such as H 2 O ( Fajardo et al, 2004 ; Abouaf-Marguin et al, 2007 ; Fillion et al, 2012 ), NH 3 ( Boissel et al, 1993 ; Gauthier-Roy et al, 1993 ; Ruzi and Anderson, 2013 ), and CH 4 ( Miyamoto et al, 2008 ; Sugimoto et al, 2015 ; Sugimoto and Yamakawa, 2021 ), the most popular technique has been rovibrational spectroscopy combined with the matrix-isolation method, where target molecules are isolated in molecular solids, e.g., rare-gas ones. Indeed, the temperature dependence of the conversion rate has been intensively studied in this way to reveal the pathways for the rotational relaxation ( Sugimoto et al, 2015 ; Turgeon et al, 2017 ; Yamakawa et al, 2017 ).…”

Section: Matrix Isolation Systemmentioning

confidence: 99%

Fast ortho-to-para conversion of molecular hydrogen in chemisorption and matrix-isolation systems

Ueta,

Fukutani,

Yamakawa

2023

Front. Chem.

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Molecular hydrogen has two nuclear-spin modifications called ortho and para. Because of the symmetry restriction with respect to permutation of the two protons, the ortho and para isomers take only odd and even values of the rotational quantum number, respectively. The ortho-to-para conversion is promoted in condensed systems, to which the excess rotational energy and spin angular momentum are transferred. We review recent studies on fast ortho-to-para conversion of hydrogen in molecular chemisorption and matrix isolation systems, discussing the conversion mechanism as well as rotational-relaxation pathways.

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Section: Matrix Isolation Systemmentioning

confidence: 99%

Fast ortho-to-para conversion of molecular hydrogen in chemisorption and matrix-isolation systems

Ueta,

Fukutani,

Yamakawa

2023

Front. Chem.

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Rotranslational dynamics of confined water. II. Spectroscopic evidence of confinement effects on the far-infrared spectra of water isotopologues in argon and krypton matrices

Putaud

Wespiser

Bertin

et al. 2022

The Journal of Chemical Physics

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Water molecules trapped in rare gas matrices exhibit conspicuous shifts in their far-infrared (FIR), rotranslational spectral features compared with the corresponding transitions observed in the gas phase. These confinement-induced perturbations have been related not only to the quantization of translational motion but also to the coupling between the orientational and positional degrees of freedom: the rotation–translation coupling (RTC). As the propensity displayed by the nuclear spin isomers (NSI) of water to undergo interconversion in confinement is intimately related to how its nuclear spin degrees of freedom are coupled with those for intra- and intermolecular motions, confinement-induced RTC should also strongly impact the NSI interconversion mechanisms and rates. Insight into the rotranslational dynamics for H216O, H217O, and H218O, confined in argon and krypton matrices, is provided here based on the evolution of rotranslational spectra induced by NSI interconversion while a definitive assignment is provided from the transition energies and intensities calculated using the confined rotor model [Paper I, Wespiser et al., J. Chem. Phys. 156, 074304 (2021)]. In order to build a complete rotranslational energy diagram of confined water, which is fundamental to understand the NSI interconversion rates, the energy difference between the ground ortho and para rotranslational states is derived from the temperature dependence of the intensity ratio of mid-infrared lines emerging from these states. These investigations should provide deeper insight of the factors that control NSI interconversion of water isotopologues under extreme confinement.

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Nuclear-spin conversion analysis of ν 2 + ν 4 combination band of crystalline methane in phase II

Cited by 2 publications

References 14 publications

Fast ortho-to-para conversion of molecular hydrogen in chemisorption and matrix-isolation systems

Fast ortho-to-para conversion of molecular hydrogen in chemisorption and matrix-isolation systems

Rotranslational dynamics of confined water. II. Spectroscopic evidence of confinement effects on the far-infrared spectra of water isotopologues in argon and krypton matrices

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