Novel Cooperative Interactions and Structural Ordering in H[subscript 2]S-H[subscript 2]
- ORNL
Hydrogen sulfide (H{sub 2}S) and hydrogen (H{sub 2}) crystallize into a 'guest-host' structure at 3.5 GPa and, at the initial formation pressure, the rotationally disordered component molecules exhibit weak van der Waals-type interactions. With increasing pressure, hydrogen bonding develops and strengthens between neighboring H{sub 2}S molecules, reflected in a pronounced drop in S-H vibrational stretching frequency and also observed in first-principles calculations. At 17 GPa, an ordering process occurs where H{sub 2}S molecules orient themselves to maximize hydrogen bonding and H{sub 2} molecules simultaneously occupy a chemically distinct lattice site. Intermolecular forces in the H{sub 2}S+H{sub 2} system may be tuned with pressure from the weak hydrogen-bonding limit to the ordered hydrogen-bonding regime, resulting in a novel clathrate structure stabilized by cooperative interactions.
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Sponsoring Organization:
- NSFDOE - BASIC ENERGY SCIENCESNNSA
- OSTI ID:
- 1032650
- Journal Information:
- Physical Review Letters, Vol. 107, Issue 25; ISSN 0031-9007
- Country of Publication:
- United States
- Language:
- ENGLISH
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