H{sub 2}—AgCl: A spectroscopic study of a dihydrogen complex

H{sub 2}—AgCl has been observed on a Fourier transform microwave spectrometer equipped with laser ablation source and determined to be a dihydrogen complex. Transitions up to J = 3–2 have been measured and analyzed for four isotopologues of the complex containing ortho and para H{sub 2}. The ortho a...

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Bibliographic Details
Published in:The Journal of chemical physics 2014-09, Vol.141 (11)
Main Authors: Grubbs, G. S., Obenchain, Daniel A., Pickett, Herbert M., Novick, Stewart E.
Format: Article
Language:English
Subjects:
BOND LENGTHS
CENTER-OF-MASS SYSTEM
CHLORINE 35
CHLORINE 37
COUPLING CONSTANTS
FOURIER TRANSFORMATION
HYDROGEN
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
INTERACTIONS
MONOMERS
ROTATION
SILVER CHLORIDES
SPIN
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Summary:H{sub 2}—AgCl has been observed on a Fourier transform microwave spectrometer equipped with laser ablation source and determined to be a dihydrogen complex. Transitions up to J = 3–2 have been measured and analyzed for four isotopologues of the complex containing ortho and para H{sub 2}. The ortho and para spin states have been included in one fit, a deviation from the typical H{sub 2} complex. Rotational constants B and C, centrifugal distortion constants Δ{sub J} and Δ{sub JK}, nuclear electric quadrupole coupling constants χ{sub aa}, χ{sub bb}, and χ{sub cc} for {sup 35}Cl and {sup 37}Cl have been fit for both spin states while nuclear spin-nuclear spin constants D{sub aa}, D{sub bb}, and D{sub cc}, and nuclear spin-rotation constant C{sub aa} have been reported for the ortho spin state. Quantum chemical calculations predict a strong bonding interaction and the strength of the complex has been related to reported χ{sub aa} and Δ{sub J} values amongst a host of comparable species, including the AgCl monomer itself. Bond lengths have been determined for Ag—Cl, Ag—H{sub 2} center-of-mass, and H—H and are reported.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4895904