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Manhattan, KS Acknowledgements General Chair Daniel A. Higgins Program Chair J. Vincent Ortiz Symposia Chairs Crystal Engineering – Supramolecular Chemistry Christer Aakeröy Drug Discovery and Bioorganic Chemistry Duy H. Hua Environmental Chemistry Larry E. Erickson Methods of Electronic Structure Theory J. Vincent Ortiz Nanostructured Materials and Air Quality Kenneth J. Klabunde Sol-Gel Chemistry Maryanne M. Collinson Undergraduate Research Stefan Kraft Treasurer Yasmin Patell Exposition Chair Earline Dikeman Undergraduate Program Janie Salmon Audio/Video Resources James R. Hodgson Program Book Ruth Hathaway Printing/Publicity Ellen Stauffer KSU Div. of Continuing Education Website KSU Div. of Continuing Education Program Book Art Jessa Talamentez KSU Div. of Continuing Education Midwest Award Leah O’Brien ACS Regional Meeting Planner John Michael Sophos Welcome to the 39th Midwest Regional Meeting of the American Chemical Society October 20-22, 2004 Manhattan Holiday Inn Holidome Manhattan, KS Hosted by the Kansas State University Section Local Sections of the Midwest Region Of the American Chemical Society Ames Iowa Kansas City Kansas State University Mark Twain Mo-Kan-Ok Nebraska Omaha Ozark Sioux Valley South Central Missouri Southern Illinois St. Louis University of Kansas University of Missouri University of Arkansas Wichita MWRM 2004 39th Midwest Regional Meeting October 20-22, 2004 Table of Contents Acknowledgements inside front cover Welcome 1 Local Sections of the Midwest Region 2 Table of Contents 3 Special Greeting Brad Everett, Mayor, City of Manhattan 5 Jon Wefald, President, Kansas State University 6 M. Duane Nellis, Provost, Kansas State 7 University Stephen E. White, Dean, College of Arts and 8 Sciences, Kansas State University Meeting at a Glance 9 General Information 10 Sponsors 12 Exhibitors 13 60th Midwest Regional Award in Chemistry 14 Technical Program Special Symposia Crystal Engineering 18 Drug Design and Bioorganic Chemistry 24 Environmental Chemistry 27 Methods in Electronic Structure Theory 31 Nanostructured Materials and Air Quality 34 Research at Undergraduate Institutions 36 Sol-gel Chemistry 37 3 MWRM 2004 39th Midwest Regional Meeting October 20-22, 2004 General Sessions Analytical Chemistry 40 Biochemistry 44 Chemical Education 46 Inorganic Chemistry 47 Organic Chemistry 50 Physical Chemistry 54 Poster Sessions Poster Session I 58 Poster Session II 71 Poster Session III 82 Abstracts 86 Author Index 312 Map inside back cover 40th Midwest Regional ACS Meeting Announcement back cover 4 MWRM 2004 39th Midwest Regional Meeting October 20-22, 2004 5 MWRM 2004 39th Midwest Regional Meeting October 20-22, 2004 6 MWRM 2004 39th Midwest Regional Meeting October 20-22, 2004 7 MWRM 2004 39th Midwest Regional Meeting October 20-22, 2004 8 MWRM 2004 39th Midwest Regional Meeting October 20-22, 2004 MWRM 2004 MEETING AT A GLANCE 10/20/04 10/21/04 10/21/04 10/22/04 Symposium Wed PM Thurs AM Thurs PM Friday AM Analytical 1-5 PM 8 AM-noon Biochemistry 8 AM-noon Crystal 1-5 PM 8 AM-noon 1-4 PM 8 AM-noon Engineering Drug Discovery 1-4 PM 8 AM-noon Electronic 1-4 PM 8 AM-noon Structure Environ. 1-5 PM 8 AM-noon Chemistry Inorganic 8 AM-noon Nanoscale 1-4 PM Materials Organic 1-5 PM 8 AM-noon Physical 1-5 PM 8 AM-noon Sol-Gel 1-4 PM 8 AM-noon Materials UG Res and 8 AM-noon Chem Ed Posters 7-10 PM 9 AM-noon 1-4 PM Welcoming 7-10 PM Mixer UG Tour of KSU 1-4 PM UG Dinner, 4-7 PM Lecture Midwest Awards 4:30-6 PM Symp. Awards Banquet 6-9 PM Director's 7:30-8:30 AM Breakfast 11:30 AM- Registration 7:30 AM - 5:00 PM 7:30-11 AM 10 PM Exposition 7-10 PM 8:00 AM - 4:00 PM 8-11 AM Career 9 AM-noon 1-4:30 PM Workshop/Assist 9 MWRM 2004 39th Midwest Regional Meeting October 20-22, 2004 All times are approximate, see individual symposium listings for exact session times. 10 MWRM 2004 39th Midwest Regional Meeting October 20-22, 2004 General Information The Kansas State University Local Section of the American Chemical Society is proud to host the 39th Annual Midwest Regional Meeting (MWRM 2004). The meeting will be held at the Manhattan Holiday Inn Holidome from Wednesday, October 20, beginning at 1:00 PM, to Friday, October 22, at noon. The latest meeting information can be obtained from our website at http://www.dce.ksu.edu/chem/acs/index.html. Registration Registration and program booklet distribution will take place in the hallway just outside Conference Room I at the Holiday Inn. Registration hours will be from 11:30 AM – 10:00 PM on Wednesday, October 20, from 7:30 AM – 5:00 PM on Thursday, October 21 and from 7:30 AM– 11:00 AM on Friday, October 22. Technical Sessions All technical sessions will be held in the Holiday Inn Conference Center. Specific locations for individual symposia are defined throughout the program booklet. A map of the conference center is included. Exposition An exposition featuring commercial vendors and academic institutions will be held throughout the meeting in Ballroom A of the Holiday Inn Conference Center. Technical poster sessions and coffee breaks will be held in this same location. The exposition will be open from 7:00 – 10:00 PM on Wednesday, October 20, from 8:00 AM – 4:00 PM on Thursday, October 21 and from 8:00 AM – 11:00 AM on Friday, October 22. Mixer and Opening Poster Session The opening poster session and mixer will be held in Ballroom A of the Holiday Inn Conference Center from 7:00-10:00 PM on Wednesday, October 20, following the afternoon technical sessions that same day. 11 MWRM 2004 39th Midwest Regional Meeting October 20-22, 2004 Awards The Midwest Award for Outstanding Achievements in Chemistry, sponsored by the St. Louis Local Section of the American Chemical Society, will be given to Professor Mark S. Gordon of Iowa State University. A special award’s symposium in his honor will be held from 4:30-6:00 PM on Thursday, October 21. This symposium will be followed by a reception and the Midwest Awards Banquet from 6:00 PM – 9:00 PM in Ballroom B at the Holiday Inn Conference Center. Breakfast and Conversation with ACS Governance All registered meeting attendees are invited to enjoy a complimentary continental breakfast, coffee and conversation with ACS governance on the morning of Thursday, October 21, from 7:30 AM – 8:30 AM. The breakfast will be held in the Saffron Restaurant of the Holiday Inn. Recent ACS Board of Directors’ actions will be discussed and MWRM attendees will be given the opportunity to ask questions and present their own ideas. ACS Career Services The Career Resource Center at ACS will sponsor three professional development workshops on Thursday, October 21, 2004. These will include “Targeting the Job Market” at 9:00 AM, “Resume Preparation” at 10:00 AM and “Interviewing Skills” at 11:00 AM. These sessions will be held in the Sunflower Room (adjacent to the pool) at the Holiday Inn. Individual 25-minute resume review appointments may be scheduled for Thursday, October 21 from 1:00-4:30 PM in the main registration area. Bring a copy of your resume. For more information about these workshops, call (800) 227-5558 x6210. 12 MWRM 2004 39th Midwest Regional Meeting October 20-22, 2004 SPONSORS ACS Environmental Chemistry Division (Environmental Chemistry and Nanostructured Materials Symposia) Kansas State University Graduate School (Undergraduate Program) Kansas State University Department of Chemistry Kansas State University Information Technology Assistance Center Kansas State University Center for Hazardous Substance Research (Environmental Chemistry Symposium) Medicinal Chemistry Division of ACS (Drug Discovery and Biochemistry Symposium) ACS Office of Regional Meetings (International Speaker Travel) ACS Petroleum Research Foundation (Crystal Engineering – Supra- molecular Chemistry Symposium) ACS President's Office - ACS (Drug Discovery and Bioorganic Chemistry, Environmental Chemistry and Nanostructured Materials Symposia) ACS Office of Undergraduate Programs (Undergraduate Program) Kluwer Academic/Plenum Publishers (Crystal Engineering – Supra- molecular Chemistry Symposium) Linweld Inc. (Undergraduate Program) 13 MWRM 2004 39th Midwest Regional Meeting October 20-22, 2004 EXHIBITORS Commerical Hayden McNeil Publishing Co. Houghton Mifflin Co. Prentice Hall Publishing Co. Shimadzu Scientific Instruments, Inc Varian, Inc. Academic Iowa State University, Dept. of Chemistry Kansas State University, Dept. of Chemistry Missouri Southern State university, Dept. of Chemistry South Dakota State University, Dept. of Chemistry University of Missouri at St. Louis, Dept. of Chemistry Vanderbilt University, Dept. of Chemistry Wichita State University, Dept. of Chemistry 14 MWRM 2004 39th Midwest Regional Meeting October 20-22, 2004 2004 Midwest Regional ACS Award for Outstanding Achievements in Chemistry Professor Mark S. Gordon Iowa State University Mark S. Gordon, the recipient of this year’s Midwest Award of the American Chemical Society, grew up in and around New York City, received his B.S., Ph.D. and postdoctoral education at Rensselaer Polytechnic Institute, Carnegie-Mellon University (w. J.A. Pople) and Iowa State University (w. K. Ruedenberg). For 12 years he was on the chemistry faculty of North Dakota State University and rose to Distinguished Professor and Department Chair. During his subsequent 12 years at Iowa State University, he has become Distinguished Professor, has been the associate Department Chair and is Director of the Applied Mathematics Program in the Ames Laboratory USDOE. He has been a visiting scientist at the University of California-Irvine, the Minnesota Supercomputing Institute, the National Science Foundation, the Molecular Science Institute in Okazaki (Japan), the University of Tokyo and the Australian National University. He has been the Chair of the Theoretical Chemistry Subdivision of the American Chemical Society and the Secretary-Treasurer of its Physical Chemistry Division.
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