Figure - PMC

Skip to main content

An official website of the United States government

Here's how you know

Here's how you know

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.

View full-text article in PMC

. 2014 Aug 13;4:6054. doi: 10.1038/srep06054

Search in PMC
Search in PubMed
View in NLM Catalog
Add to search

Copyright © 2014, Macmillan Publishers Limited. All rights reserved

This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article's Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder in order to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/

PMC Copyright notice

(a) Relative enthalpy of the CuF₂(H₂O)₂(3-chloropyridine) unit cell, predicting that the ferromagnetic state becomes energetically favored. (b) Calculated H-O bond distances and H-O-H bond angle and (c) and distances all indicate sharp changes at the critical pressure. The grey lines indicate the transition pressure which is in excellent agreement with the experimental pressure (0.75 vs. 0.8 GPa). (d) Experimental frequency versus pressure at 300 K for three modes involving the C-Cl bond, (e) H-O-H bend, and (f) O-H stretches. All modes involving the C-Cl bond show slight increases in dω/dP around the transition. The H-O-H bend hardens significantly with pressure. The difference in dω/dP (−27.5 ± 2 vs. −31 ± 1 cm⁻¹/GPa) for the two O-H stretches results in increased splitting between the features. Lines are drawn to guide the eye and help visualize different mode behaviors through the transition.

Inline graphic — (a) Relative enthalpy of the CuF₂(H₂O)₂(3-chloropyridine) unit cell, predicting that the ferromagnetic state becomes energetically favored. (b) Calculated H-O bond distances and H-O-H bond angle and (c) and distances all indicate sharp changes at the critical pressure. The grey lines indicate the transition pressure which is in excellent agreement with the experimental pressure (0.75 vs. 0.8 GPa). (d) Experimental frequency versus pressure at 300 K for three modes involving the C-Cl bond, (e) H-O-H bend, and (f) O-H stretches. All modes involving the C-Cl bond show slight increases in dω/dP around the transition. The H-O-H bend hardens significantly with pressure. The difference in dω/dP (−27.5 ± 2 vs. −31 ± 1 cm⁻¹/GPa) for the two O-H stretches results in increased splitting between the features. Lines are drawn to guide the eye and help visualize different mode behaviors through the transition.