H₂-AgCl: a spectroscopic study of a dihydrogen complex

H2-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 H2. The ortho and para spin...

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Bibliographic Details
Published in:The Journal of chemical physics 2014-09, Vol.141 (11), p.114306-114306
Main Authors: Grubbs, 2nd, G S, Obenchain, Daniel A, Pickett, Herbert M, Novick, Stewart E
Format: Article
Language:English
Subjects:
Bonding strength
Fourier transforms
Laser ablation
Nuclear spin
Organic chemistry
Quadrupole interaction
Quadrupoles
Quantum chemistry
Silver chloride
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Summary:H2-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 H2. The ortho and para spin states have been included in one fit, a deviation from the typical H2 complex. Rotational constants B and C, centrifugal distortion constants Δ(J) and Δ(JK), nuclear electric quadrupole coupling constants χ(aa), χ(bb), and χ(cc) for (35)Cl and (37)Cl have been fit for both spin states while nuclear spin-nuclear spin constants D(aa), D(bb), and D(cc), and nuclear spin-rotation constant C(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(aa) and Δ(J) values amongst a host of comparable species, including the AgCl monomer itself. Bond lengths have been determined for Ag-Cl, Ag-H2 center-of-mass, and H-H and are reported.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4895904