TY - JOUR
T1 - Local vibrational mechanism for negative thermal expansion
T2 - A combined neutron scattering and first-principles study
AU - Peterson, Vanessa K.
AU - Kearley, Gordon J.
AU - Wu, Yue
AU - Ramirez-Cuesta, Anibal Javier
AU - Kemner, Ewout
AU - Kepert, Cameron J.
PY - 2010/1/12
Y1 - 2010/1/12
N2 - (Figure Presented) Dynamic deformation of the dicopper tetracarboxylate paddlewheel unit within a metal-organic framework from square-prismatic (see picture, left) to distorted (right) occurs at very low energies. This deformation, which contributes strongly to the negative thermal expansion of this system, is a local vibration induced by a redistribution of electron density at the Cu-O junctions.
AB - (Figure Presented) Dynamic deformation of the dicopper tetracarboxylate paddlewheel unit within a metal-organic framework from square-prismatic (see picture, left) to distorted (right) occurs at very low energies. This deformation, which contributes strongly to the negative thermal expansion of this system, is a local vibration induced by a redistribution of electron density at the Cu-O junctions.
KW - Coordination frameworks
KW - Metalorganic frameworks
KW - Microporous materials
KW - Neutron scattering
KW - Thermal expansion
UR - http://www.scopus.com/inward/record.url?scp=74549220943&partnerID=8YFLogxK
U2 - 10.1002/anie.200903366
DO - 10.1002/anie.200903366
M3 - Article
AN - SCOPUS:74549220943
SN - 1433-7851
VL - 49
SP - 585
EP - 588
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
IS - 3
ER -