Absolute refinement of crystal structures by X-ray phase measurements

Autor(es)

Morelhao, Sergio L. ; Amirkhanyan, Zohrab G. ; Remedios, Claudio M. R.

• Tipo de documento: Artigo Científico
• Fonte: ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES; v. 71, p. 6-pg., 2015-05-01.

Resumo

A pair of enantiomer crystals is used to demonstrate how X-ray phase measurements provide reliable information for absolute identification and improvement of atomic model structures. Reliable phase measurements are possible thanks to the existence of intervals of phase values that are clearly distinguishable beyond instrumental effects. Because of the high susceptibility of phase values to structural details, accurate model structures were necessary for succeeding with this demonstration. It shows a route for exploiting physical phase measurements in the crystallography of more complex crystals. (AU)

• Processo FAPESP: 14/08819-1 - XXIII Congress and General Assembly of the International Union of Crystallography
• Beneficiário: Sérgio Luiz Morelhão
• Modalidade de apoio: Auxílio à Pesquisa - Reunião - Exterior
• Processo FAPESP: 12/01367-2 - Medidas de fase de raios x usadas como sonda de pequenas alterações estruturais induzidas por dopantes em cristais de relevância tecnológica
• Beneficiário: Zohrab Gevorg Amirkhanyan
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado