Abstracts Book - IMRC 2018

• SD6-P005
RADIAL DISTRIBUTION FUNCTION IN POROUS COORDINATION
POLYMERS CHARACTERIZATION. Fe BTC & Cu BTC, CASE STUDY
Frank Echevarría Castillo 1
1 Centro de Investigación en Ciencia Aplicada y Tecnología Avanzada, Legaría, IPN, Laboratorio
Nacional de Conversión y Almacenamiento de Energía, Mexico.
Knowledge of the local atomic arrangements within the materials is of vital
importance in the understanding of their chemical properties. Even in not
ordered materials the structural parameters are of vital importance. The
analysis of the Radial Distribution Function also known as Pair Distribution
Function, is a well established method. It describes the probability of finding two
atoms at an interatomic given distance r. First application of this method was
the study of materials that do not show long range order; nowadays its study
compromises fields as nanoscience, as well as the study of porous polymers
coordination materials. Pair distribution function can be determined laboratory
or synchrotron X ray or neutron diffraction data. PDF is the key to investigate
short, medium or long range order of materials.
This method can be applied to crystalline or amorphous solid materials as well
as to liquids.
For crystalline materials, PDF is a powerful tool to determine the deviation of the
short range order the average crystal structure.
In this study we report structural parameters of Fe BTC, a non-crystalline MOF
with special interest in H2 storage by Pair Distribution Function its in house
(Bruker D8 Venture diffractometer) transmission geometry x ray diffraction
patterns. Results were validated from analogue study with crystalline Cu BTC.
Acknowledgment:
Special thanks to the National Energy Conversion and Storage Laboratory for
access to the necessary infrastructure and the support of its teaching and
research staff for the realization of this work.
Keywords: PDF, non crystalline MOF, Fe - BTC
Presenting authors email: frankerock@gmail.com