Skip to main content

Calculation of molecular stacking spacing of copper phthalocyanine using PDF analysis

AppNote XRD1139: Calculation of molecular stacking spacing of copper phthalocyanine using PDF analysis


Phthalocyanine (Pc) compounds, organic small molecule materials, have excellent electrical properties and durability, and are widely used as organic semiconductor materials and blue paint for bullet trains. A Pc molecule coordinates to a metal ion at the center, displaying various optical and electrical properties. This molecule forms a column-like packing structure in which molecules are stacked on top of each other, showing uniaxial electrical conductivity in the direction of molecular stacking. Electrical properties depend on the molecular stacking spacing, but it cannot be estimated by standard powder X-ray diffraction. On the other hand, PDF analysis can calculate interatomic distance of heavy elements, which may be effective for calculating the distance between metals in the center of Pc molecules.

XRD products from Rigaku

Advanced state-of-the-art high-resolution XRD system powered by Guidance expert system software

Highly versatile multipurpose X-ray diffractometer with built-in intelligent guidance

New 6th-generation general purpose benchtop XRD system for phase i.d and phase quantification

Compact X-ray diffractometer for quality control of materials that is easy to use and is ideal for routine work

Laboratory micro-spot XRD residual stress analysis with both iso- and side-inclination methods

Windows®-based software suite for Rigaku's X-ray diffractometers

high energy resolution pixel detector capable of 0, 1, and 2D measurements

2D X-ray detector with latest semiconductor technology designed for home lab diffractometers