Discovery Projects - Grant ID: DP0452357

Funding Activity

Website
http://dataportal.arc.gov.au/NCGP/Web/Grant/Grant/DP0452357

Funding Status
Closed

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Funded Activity Summary

Nonlinear optical properties of molecular crystals: An innovative approach to their determination using high-resolution X-ray diffraction data. This project will make a novel contribution towards the creation and optimisation of new optically-active materials, an objective central to future photon science and information technology. By developing and implementing innovative approaches in the charge density analysis of high-resolution, low-temperature single-crystal X-ray diffraction data, we will obtain in-crystal estimates of the electronic part of molecular (hyper)polarisabilities and related bulk susceptibilities, for crystals of selected important organic nonlinear optical (NLO) materials. The program will exploit advances in CCD technology for X-ray data collection, procedures for electron density and wavefunction fitting, and analysis of molecular dynamics in crystals.

Funded Activity Details

Start Date: 01-01-2004

End Date: 31-12-2009

Funding Scheme: Discovery Projects

Funding Amount: $615,000.00

Funder: Australian Research Council

Research Topics

ANZSRC Field of Research (FoR)

Physical Chemistry Not Elsewhere Classified | Theoretical And Computational Chemistry Not Elsewhere Classified | Physical Chemistry (Incl. Structural)

ANZSRC Socio-Economic Objective (SEO)

Chemical sciences |

Other Keywords

Chemical sciences | Physical Chemistry (Incl. Structural) | Physical Chemistry Not Elsewhere Classified | Theoretical And Computational Chemistry Not Elsewhere Classified

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