YSU Structure Center Faculty

• Allen D. Hunter: Director, ([email protected]), X-Ray Crystallography, NMR Spectroscopy, Materials Characterization (YSU Chemistry Department)
• Timothy R. Wagner: ([email protected]), X-Ray Crystallography, Electron Microscopy (YSU Chemistry Department)
• John T. S. Andrews: ([email protected]), X-Ray Crystallography (Hiram College Chemistry Department)

• Bruker AXS P4 Automated Diffractometer with Cu Radiation, Capillary Optics, Serial Detector, and Low Temperature Capabilities for Single Crystal Studies.
• Bruker AXS P4 Automated Diffractometer with Cu Radiation and Serial and Multi-Wire Area Detectors for Powder, Single Crystal, and Macromolecular Studies.
• Bruker-Nonius APEX CCD Diffractometer with Mo Radiation, Capillary Optics, and Low Temperature Capabilities for Single Crystal and Powder Samples.
• Bruker-Nonius D8 Powder Diffractometer with Cu Radiation, Optics for High Resolution Powder Data Collection.
• Varian Gemini-2000 400 MHz NMR Spectrometer with four 5 and 10 mm probes and Variable Temperature, Multinuclear, Pulsed Field Gradient, and Inverse Capabilities
• Varian/Anasazi EFT 60 MHz FT-NMR Spectrometer with 1D/2D 1H and 13C Capabilities
• Finnigan GCQ Mass Spectrometer with Negative Ion and Solids Capabilities along with three other GC-MS Systems and a a high resolution mass spectrometer (with FAB, Electrospray, etc., capabilities) now being installed
• Bruker-Daltonics Esquire LC-MS with Electrospray, Negative Ion, and (MS)n Capabilities
• Materials Characterization Tools, including: GPC, DSC, TGA, Viscometry
• TA Instruments 2910 DSC
• TA Instruments 2050 TGA
• Cannon CT-518 Constant Temperature Bath for Viscometry
• GBC Instruments/Polymer Labs GPC-SEC System with Autosampler, Column Oven, Diode Array UV-Visible and RI Detectors
• Jasco 410 FT-IR (0.9 cm-1 resolution)
• Vacuum Atmospheres HE-43-2 Inert Atmosphere Glove Boxes (2)
• MBraun Double Glove Boxes (2) with O₂/H₂O Sensors, Refrigerators, High Capacity Dry Trains, etc.
• Electrochemistry Systems.

        The central goal of the YSU Structure Center is to serve the educational and research needs of the students and faculty at Youngstown State University and at collaborating regional colleges.  We also offer our NMR and X-Ray diffraction facilities and our consulting expertise to the larger American academic community and to regional corporations on a time available basis.

        I have prepared an approximately 275 page manual designed to help the crystallographic novice learn to carry out a single crystal diffraction analysis.  It has been optimized for SHELXTL but would be useful for many programs.  It is now being used by approximately 200 user groups around the world.  If you download this manual, please email me (Dr. Allen D. Hunter of the YSU Department of Chemistry) with your name, institutional affiliation, and address so that I can keep a record of the users: [email protected]

•  Table of Contents and Index for the Manual as a .pdf file
•  The Complete manual as a .pdf file
•  The Covers for the Lab Manual as a .pdf file
•  Modified Chapter XIV of ADH's SALM: Growing Single Crystals Suitable for Diffraction Analysis: Color Version: 195KB.doc, 62KB.pdf Black and white Version: 143KB.doc, 62KB.pdf
• Trial Data Sets

• Crystallography-Diffraction Methods Textbook Reference List: 106KB.doc, 57KB.pdf
• Crystallography-Diffraction Methods Useful WEB Site Reference List:  under construction
• Crystallography-Diffraction Methods Papers Related to Teaching Reference List:  under construction
• Please feel free to make suggestions for corrections / additions to these early draft reference and WEB site lists!  I add titles/sites as I find them.

• American Chemical Society for their Fall 2002 national meeting in Boston.
• Diffraction and Other Structural Methods in Undergraduate Education: 26KB.doc, 17KB.pdf

• 1999 NSF 9980921: “X-Ray Diffraction Analysis Throughout the Curriculum: a Powerful Tool for Understanding Molecular Structure and Bonding,” A. D. Hunter, the National Science Foundation Division of Undergraduate Education: CCLI – EMD-POC, (DUE 9980921), $74,707, 05/01/2000-04/30/2002.
• Being Used to Develop Curriculum Materials for the Integration of Single Crystal Diffraction Methods Across the Chemistry Curriculum From High School Chemistry Through Graduate School

• 1994 NSF 9403889: “Acquisition of a Single Crystal X-Ray Diffractometer,” T. R. Wagner, A. D. Hunter, J. A. Jackson, and R. E. Beiersdorfer, the National Science Foundation Division of Materials Research: Research at Undergraduate Institutions Program (DMR 9403889), $71,199.
• OBoR Matching Funds Grant: 1994 OBoR: “Acquisition of a Single Crystal X-Ray Diffractometer,” T. R. Wagner, A. D. Hunter, J. A. Jackson, and R. E. Beiersdorfer, the Ohio Board of Regents Action Fund (CAP-098), $60,000, 1994-96.
• Funded the Purchase of 2 Bruker-AXS Systems.
• #1 Equipped with a X-1000 Multiwire Area Detector and Cu source.
• Primarily for Powder Studies and Secondarily for Single Crystal Studies.
• #2 Equipped with a LT2 Low Temperature System, Capillary Optics, and Cu source.
• Small Molecule Single Crystal Studies.
• 1995 NSF 9551683: “Integration of GC-MS into the Undergraduate Curriculum,” J. A. Jackson, A. D. Hunter, S. M. Schildcrout, R. L. Falconer, and T. R. Wagner, the National Science Foundation Division of Undergraduate Education Instruments for Laboratory Improvement-Instrumentation Program, (DUE 9551683), $34,450, 1995-96.
• Used to Purchase a Finnigan 1020 GC-MS with Solids Probe and Negative Ion Capability
• 1995 OBoR:  “Ohio NMR Consortium,” M.-D. Tsai, A. D. Hunter and many others, the Ohio Board of Regents Investment Fund, (CAP-419), $3,000,000 overall, $200,000 to YSU, 1995-97.
• Used to Fund the Upgrade of the Varian Gemini-2000 400 MHz NMR purchased with Department Funds.
• Also to Upgrade our 60 MHz CW 1H NMR to the Anasazi EFT 60 MHz 1H/13C Standard.
• 1995 OBoR: “Ohio Crystallography Consortium at Toledo,” J. E. Gano, A. D. Hunter and many others, the Ohio Board of Regents Investment Fund, (CAP-075) $815,000 overall, $35,000 to YSU, 1995-97.
• Used to Purchase a Computer Upgrade and Software for our Diffraction Facility.
• 1995 NSF 9552347 -DUE-ILI "An Investigative Science Laboratory": PI: Alan Jacobs, Co-PIs: Jeff Dick, Daryl Mincey, and Scott Martin, $25,000 .
• 1995 NSF 9552374 -DUE-ILI "Restructuring the Physics Lab: A Remote Interactive Approach": PI: Greg Sturrus, Co-PI: Stephen Hanzely.
• 1997 NSF 9751151 -DUE-ILI "Brownfields Investigations as an Integrated Approach to Sampling, Sample Preparation, and Analysis":  PI: Daryl Mincey, Co-PIs: Renee Falconer, Tim Wagner, and Scott Martin, $78,375 from NSF.
• 1997 OBoR: “Computer Aided Instruction in the Department of Chemistry at Youngstown State University,” J. A. Jackson, A. D. Hunter, T. D. Kim, D. W. Mincey, and P. Norris, the Ohio Board of Regents Request for Technology Initiatives, $100,747, 1997-98.
• Used to Purchase 16 Windows NT Computers and 24 Windows 95 Computers Plus Printers and Software for our Chemistry Majors and Service Computer Labs, Since Have been Regularly Upgraded with Internal Funds (Computer Fees).
• 1998 NSF 9851107: “Integration of Materials Characterization Throughout the Chemistry and Physics Curricula: Purchase of Thermal Analysis, Viscometry, and Gel Permeation/Size Exclusion Chromatography Equipment,” A. D. Hunter, S. Brower, T. Kim, D. Mincey, and T. Wagner, the National Science Foundation Division of Undergraduate Education Instruments for Laboratory Improvement-Instrumentation Program, (DUE 9851107), $44,600, 1998-2001.
• TA Instruments 2910 DSC and 2050 TGA
• GBC Instruments/Polymer Labs GPC-SEC-HPLC
• Autosampler, Isocratic/Gradient Pump, RI and UV-Visible Diode Array Detector
• Cannon CT-518 Constant Temperature Bath for Viscometry
• Jasco 410 FT-IR
• 0.9 cm-1 Resolution
• Vacuum Atmosphere HE-43-2 Inert Atmosphere Glove Box (Used)
• 1999 NSF 9981040 -DUE-CCL-A&I "Integration of Computer Technology into the General Chemistry Curriculum": PI: Tim Wagner, Co-PI: Jim Mike, $94,945 .
• Used to Integrate Computers into the Collection and Analysis of Experimental Data in the General Chemistry Lab (Lab Works)
• 1999 OBoR:  "A Proposal to Establish a State-of-the-Art Ohio Mass Spectrometry Consortium," P. G. Hatcher, A. D. Hunter, and others, $1,860,000 overall, $88,900 to YSU, 1999-2002.
• 2000 NSF 0087210:  “WEB Accessible Single Crystal X-Ray Diffractometer for Undergraduate Instruction at a Consortium of Predominantly Undergraduate Institutions,” A. D. Hunter, L. M. Hoistad, A. J. Jircitano, T. R. Wagner, and E. P. Zovinka, the NSF: Division of Undergraduate Education, Course, Curriculum, and Laboratory Instrumentation, Adapt & Implement, (Victoria Bragin Program Officer, DUE 0087210), $200,000, 01/15/2001-01/14/2004.
• Bruker-Nonius APEX CCD Diffractometer With Mo Radiation, Capillary Optics, Low Temperature System, etc.
• OBoR Match: 2000 OBoR:  “WEB Accessible Single Crystal X-Ray Diffractometer for Undergraduate Instruction at a Consortium of Predominantly Undergraduate Institutions,” A. D. Hunter, L. M. Hoistad, A. J. Jircitano, T. R. Wagner, and E. P. Zovinka, the Ohio Board of Reagents Action Fund, (OBoR CAP-491), $75,000, 01/15/2001-01/14/2004.
• 2000 OBoR: "A Proposal for Fulfilling the Goals of the Ohio Mass Spectrometry Consortium," P. G. Hatcher, A. D. Hunter, and others, Ohio Board of Regents Investment Fund, $500,000 (no direct cash to YSU), 2000-2002.
• 2001 NSF 0116426: “RUI-MRI: Acquisition of a Powder X-Ray Diffractometer System,” T. R. Wagner, R. E. Beiersdorfer, and A. D. Hunter, National Science Foundation Research at Undergraduate Institutions Major Research Instrumentation proposal, (CHEM 0116426), $170,310, 2001-2002.
• Bruker-Nonius D8 Powder Diffractometer (equipped with optics optimized for high resolution/Rietveld work) for February 2002 Delivery.
• 2001 NSF 0121699: “Reciprocal Net – A Distributed Molecular Database,” J. C. Huffman, G. Bernbom, J. C. Bollinger, W. S. Harwood, and G. D. Wiggins (A. D. Hunter, Advisory Board, YSU-PUI Integration Site, and Crystallographic Education Team Leader), NSF National Science Digital Libraries, NSDL, - Collection (NSF 01-55), $996,903 ($5,000+ for YSU), 09/01/2001 – 08/31/2003.
• 2001 NSF 0130968: “RUI - Purchase of Glove Box and Vacuum Line Systems for Materials Synthesis & Characterization,” A. D. Hunter, Larry S. Curtin, Sherri R. Lovelace-Cameron, Timothy Wagner, National Science Foundation - Chemistry Research Instrumentation and Facilities, $131,779, 01/01/2002 - 12/31/2004.
• Funded for 2 "High End" Inert Atmosphere Glove Boxes (i.e., with O2/H20 Sensors, Refrigerators, etc.) and 10 Inert Atmosphere Vacuum Lines for the Advanced Synthesis Lab.  

• 2000 CUR/NSF DMR: “Charge Density Studies on Single-Site Transition Metal Olefin Polymerization Catalysts,” A. D. Hunter, the Council on Undergraduate Research / NSF-DMR Materials Research Linkages Project, $800, 2000.
• 2000 NSF 0086313: “US-UK Cooperative Education and Research: Structural Investigations of Main Group Heterocyclic Rings and Cages,” A. D. Hunter, NSF: International Division (Western Europe), Collaborative Projects, (Rose Gombay Program Officer, INT-WE 0086313), $13,200, 02/01/2001-12/31/2001.
• 2000 NSF 0097682:  “REU – Research Experience for Chemistry at Youngstown State University: A Bridge Between Four-Year Colleges and Ph.D. Research Universities,” D. W. Mincey, A. D. Hunter, John A. Jackson, Sherri R. Lovelace-Cameron, and Timothy R. Wagner, NSF - Research Experiences for Undergraduates Program, (John Stevens Program Officer, CHEM 0097682), $180,000 for 05/01/2001-04/30/2004.
• Funding 10 Undergraduate Research Summer Students Each Year (Application Information)
• 001 NSF 0111511: “RUI - Organometallic NanoStars,” A. D. Hunter, National Science Foundation Research at Undergraduate Institutions research proposal, (Katherine Covert Program Officer, CHEM & DMR 0111511), $350,000, 07/15/2001-07/14/2004.
• 2001 PRF 37228-B3: “Electroactive Organometallic NanoStars,” A. D. Hunter, American Chemical Society Petroleum Research Fund, Type B, $30,000, 08/01/2001-08/31/2003.
• 2001 NSF 0128154:  “REU in Chemistry at YSU: AWARE (Australia) REU Supplement Request,” A. D. Hunter and S. R. Lovelace-Cameron, NSF - RUI - AWARE - Australia program (INT-EAP 01-117), $48,746, 05/01/2002 - 04/30/2004.

• 1998 NSF 9850079: “Investigative Approaches in the Natural Sciences,” J. D. Usis, C. Singler, and A. D. Hunter, the National Science Foundation, Division of Undergraduate Education, Institution-Wide Reform Initiative, (DUE 9850079), $183,579, 1998-2001.
• Used to Develop and Institute a Hands On Active Learning Laboratory Course that is Now Part of the General Education Program for All YSU Students.
• 1999 NSF 9987080 -EHR "CSEMS Technology Leaders Scholarship Program": $200,000 from NSF, PI: Jim Mike, Co-PIs: Bob Kramer, Scott Martin, and Bernadette Mullins.

• 1999 OBoR: “Ohio Science Teaching,” Bill Rauckhorst, and others, A. D. Hunter YSU representative, Ohio Board of Regents, $4,000 for YSU, 1999-2001.
• Used to Facilitate the Dissemination of Science Teaching Methods in Ohio.
• 1997 NSF-DUE-ILI "Modernization of Instrumentation in a Physical Measurements Course": $44,122 from NSF, PI: Frank Krygowski, Co-PI: Theodore Bosela.

• Ohio Crystallography Consortium.
• YSU's WEB Page on the Ohio Crystallography Consortium.
• Advanced Diffraction Studies Consortium.
• Allen D. Hunter's X-Ray Crystallography Links.
• Robert McDonald's (University of Alberta) on-line SHELX Manuals.
• YSU X-Ray Structure Depository.
• Ohio NMR Consortium.
• Allen D. Hunter's NMR Spectroscopy Links.
• Research Facilities and Resources Available for Hunter’s Research. (Other YSU-Chemistry Equipment)

This page was constructed Netscape Composer. Any questions or comments about this page can be directed by email to [email protected].

This page was last updated: March 24th, 2004.

Copyright:  2004, Dr. Allen D. Hunter, Department of Chemistry, Youngstown State University