| NSF Org: |
CHE Division Of Chemistry |
| Recipient: |
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| Initial Amendment Date: | September 1, 2016 |
| Latest Amendment Date: | September 1, 2016 |
| Award Number: | 1625543 |
| Award Instrument: | Standard Grant |
| Program Manager: |
Carlos Murillo
CHE Division Of Chemistry MPS Directorate for Mathematical and Physical Sciences |
| Start Date: | September 1, 2016 |
| End Date: | August 31, 2019 (Estimated) |
| Total Intended Award Amount: | $218,473.00 |
| Total Awarded Amount to Date: | $218,473.00 |
| Funds Obligated to Date: |
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| History of Investigator: |
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| Recipient Sponsored Research Office: |
2550 NORTHWESTERN AVE # 1100 WEST LAFAYETTE IN US 47906-1332 (765)494-1055 |
| Sponsor Congressional District: |
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| Primary Place of Performance: |
560 Oval Drive West Lafayette IN US 47907-2084 |
| Primary Place of
Performance Congressional District: |
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| Unique Entity Identifier (UEI): |
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| Parent UEI: |
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| NSF Program(s): |
Major Research Instrumentation, Chemical Instrumentation |
| Primary Program Source: |
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| Program Reference Code(s): |
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| Program Element Code(s): |
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| Award Agency Code: | 4900 |
| Fund Agency Code: | 4900 |
| Assistance Listing Number(s): | 47.049 |
ABSTRACT
With this award from the Major Research Instrumentation Program (MRI) and support from the Chemistry Research Instrumentation Program (CRIF), Professor Tong Ren from Purdue University and colleagues Matthias Zeller and Suzanne Bart have acquired a single crystal X-ray diffractometer equipped with a molybdenum source. In general, an X-ray diffractometer allows accurate and precise measurements of the full three-dimensional structure of a molecule, including bond distances and angles, and provides accurate information about the spatial arrangement of a molecule relative to neighboring molecules. These studies impact a number of areas, including organic and inorganic chemistry, materials chemistry and biochemistry. This instrument is an integral part of teaching as well as research and research training of undergraduate and graduate students in chemistry and biochemistry at this institution that awards one of the largest number of PhD degrees in the country. The X-ray facility has a tradition of providing data collection and structure solution services for faculty and students from small colleges (PUIs) in the surrounding area. The diffractometer allows this courtesy to remain and be expanded. Finally, building on Purdue's ongoing efforts of making modern research instrumentation available at K-12 levels through the Purdue Science Express Program, the use of X-ray diffraction for K-12 educational purposes is being explored.
The award is aimed at enhancing research and education at all levels, especially in areas such as (a) synthesizing conjugated metal acetylides, (b) studying organometallic chemistry of uranium complexes, (c) designing, preparing and investigating single-site catalysts used in green and sustainable chemistry transformations, (d) synthesizing bioactive molecules, (e) designing new HIV-1 protease inhibitors and (f) synthesizing highly reactive radical species.
PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH
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PROJECT OUTCOMES REPORT
Disclaimer
This Project Outcomes Report for the General Public is displayed verbatim as submitted by the Principal Investigator (PI) for this award. Any opinions, findings, and conclusions or recommendations expressed in this Report are those of the PI and do not necessarily reflect the views of the National Science Foundation; NSF has not approved or endorsed its content.
Single crystal diffraction is the primary method to determine the structure and composition of anything at the molecular or atomic level and is essential for the understanding of structure and reactivity of molecular and solid-state materials. Funds from the NSF-MRI grant were proposed to replace an aging 20-year-old single crystal diffractometer at Purdue University. To this end, a molybdenum wavelength single crystal area detector diffractometer capable to analyze heavily absorbing samples such as metals, ceramics and lanthanide and actinide containing crystals was specified to be added to augment a slightly younger 10-year-old copper radiation curved image plate system. Augmentation of NSF funds with internal sources and purchase of a demo-instrument from the vendors application laboratory allowed for replacement of both instruments. NSF and Purdue funds were used to purchase and install two Bruker Quest single crystal diffractometers:
One single crystal diffractometer with a Mo sealed tube and curved graphite monochromator with a 10 cm x 10 cm area detector and fixed chi angle. This instrument is ideal for fast, high throughput data collection of well to weakly diffracting samples, and for heavily absorbing samples. Typical samples include metal-organic complexes, metals, ceramics, well diffracting organic crystals.
One single crystal diffractometer with Cu microsource, laterally graded X-ray optics (Goebel mirror) and kappa geometry, equipped with a 10 cm x 14 cm area detector. Featuring a copper radiation microsource this instrument is ideal for samples that are very weakly diffracting, for very small crystals (< 0.1 mm), and for determination of absolute structure of organic compounds (no atoms heavier than fluorine). This instrument also has excellent powder XRD capabilities and is being used to support various materials chemistry and engineering projects.
Both instruments were equipped with Oxford Cryostream 800 variable temperature devices (80-500K and 80-400K), purchased in part with additional internal Purdue resources. All instruments are available for use 24/7.
Being able to obtain structural data from more materials, and with higher resolution and from lower quality samples did provide a tremendous boost to researchers at Purdue and affiliated institutions. During the award period, over 1000 publication quality single crystal data sets have been collected. The field of science benefitting most from the newly installed single crystal diffractometers is chemistry. Significant numbers of samples have also originated from related disciplines such as Chemical Engineering, Physics, Industrial and Physical Pharmacy, Mechanical Engineering, and Forestry and Natural Resources at Purdue University for a total of 26 research groups at Purdue, and 38 research groups from 35 other universities, colleges and national labs. Nearly 80 articles in peer reviewed journals have been published by the PIs, collaborators and users of the instruments, ranging from full papers in Nature and Science to simple structure reports. Data have also been disseminated in at least 48 faculty and student conference presentations (oral contributions and poster presentations). Based on results obtained from the X-ray facility Purdue students have won significant awards. The 2017 and 2018 Innovations in Nuclear Technology R&D Awards to Caleb Tatebe and Ezra Coughlin, respectively (both PhD 2019) and the 2019 National ACS Inorganic Undergraduate Research Award to Mr. Ben Oxley (Purdue Class of 2019).
Several dozen students and postdoctoral fellows have been trained in the independent use of the new instrumentation. About half of them through a dedicated course (X-ray Crystallography 12650 - CHM 69600-004), and half through independent "on-demand" training. The NSF funded diffractometers will also be used by students and faculty of the ACA Summer Course in Chemical Crystallography, which will be hosted at Purdue in alternating years starting in Summer 2020.
Last Modified: 09/06/2019
Modified by: Matthias Zeller
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