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Title: Novel Cooperative Interactions and Structural Ordering in H[subscript 2]S-H[subscript 2]

Abstract

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.

Authors:
; ; ; ;  [1]
  1. ORNL
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
NSFDOE - BASIC ENERGY SCIENCESNNSA
OSTI Identifier:
1032650
Resource Type:
Journal Article
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 107; Journal Issue: 25; Journal ID: ISSN 0031-9007
Country of Publication:
United States
Language:
ENGLISH
Subject:
08 HYDROGEN; CHEMICAL BONDS; CLATHRATES; HYDROGEN; HYDROGEN SULFIDES; INTERACTIONS; INTERMOLECULAR FORCES; MOLECULES; PRESSURE RANGE GIGA PA; RESERVOIR PRESSURE; VAN DER WAALS FORCES

Citation Formats

Strobel, Timothy A, Ganesh, P, Somayazulu, Maddury, Kent, P R.C., Hemley, Russell J, and CIW). Novel Cooperative Interactions and Structural Ordering in H[subscript 2]S-H[subscript 2]. United States: N. p., 2012. Web. doi:10.1103/PhysRevLett.107.255503.
Strobel, Timothy A, Ganesh, P, Somayazulu, Maddury, Kent, P R.C., Hemley, Russell J, & CIW). Novel Cooperative Interactions and Structural Ordering in H[subscript 2]S-H[subscript 2]. United States. https://doi.org/10.1103/PhysRevLett.107.255503
Strobel, Timothy A, Ganesh, P, Somayazulu, Maddury, Kent, P R.C., Hemley, Russell J, and CIW). 2012. "Novel Cooperative Interactions and Structural Ordering in H[subscript 2]S-H[subscript 2]". United States. https://doi.org/10.1103/PhysRevLett.107.255503.
@article{osti_1032650,
title = {Novel Cooperative Interactions and Structural Ordering in H[subscript 2]S-H[subscript 2]},
author = {Strobel, Timothy A and Ganesh, P and Somayazulu, Maddury and Kent, P R.C. and Hemley, Russell J and CIW)},
abstractNote = {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.},
doi = {10.1103/PhysRevLett.107.255503},
url = {https://www.osti.gov/biblio/1032650}, journal = {Physical Review Letters},
issn = {0031-9007},
number = 25,
volume = 107,
place = {United States},
year = {Tue Feb 07 00:00:00 EST 2012},
month = {Tue Feb 07 00:00:00 EST 2012}
}