Prev. Article Next Article Table of Contents

Article

Crystallographic Structure Determination: An Experiment for Organic Analysis and Other Nontraditional Venues

Your current credentials do not allow retrieval of the full text.

Purchase the full-text

PDF/HTML,
figures/images,
references and tables,
(where available)

Allen D. Hunter

Department of Chemistry, Youngstown State University, Youngstown, OH 44555-3663

J. Chem. Educ., 1998, 75 (10), p 1297

DOI: 10.1021/ed075p1297

Publication Date (Web): October 1, 1998

Section:

History, Education, and Documentation

Abstract

Single crystal diffraction analysis is a technique being increasingly utilized by non-specialists. To give students an introductory experience in this method, a one to two hour lecture and a three hour lab are described for use in courses such as organic analysis, biophysical chemistry, and instrumental methods. This class emphasizes the practical aspects of diffraction analysis, especially how routine structures are solved, how the results are prepared for publication as graphics and tables, and how reliable these results are. The student employ x-ray diffraction analysis software (i.e. SHELXTL) to solve the structures of compounds from supplied crystallographic data sets. Three data sets appropriate for this experiment are provided (i.e. for PhCH₂-NH-CHPh-P(O)(OH)(OEt), (η⁶-1,4-C₆H₄(NH₂)(NMe₂))Cr(CO)₃, and Pd(Ph₂PCH₂CH₂PPh₂)(S₂C₂(CN)₂)) as is a link to a Youngstown State University Structure Center WEB page (i.e. http://www.as.ysu.edu/~adhunter/YSUSC/XRAYDPST/index.html) where additional properly formatted crystallographic data files may be downloaded.

Keywords (Domain):

Laboratory Instruction

Keywords (Pedagogy):

Hands-On Learning / Manipulatives

Keywords (Subject):

Instrumental Methods

View: Hi-Res PDF | PDF w/ Links

Citing Articles

Citation data is made available by participants in CrossRef's Cited-by Linking service. For a more comprehensive list of citations to this article, users are encouraged to perform a search in SciFinder.

This article has been cited by 4 ACS Journal articles (4 most recent appear below).

Designing, Teaching, and Evaluating a Unit on Symmetry and Crystallography in the High School Classroom
Nathaniel P. Grove , Nathan P. Guerin , David J. Collins , Joseph J. López , Stacey Lowery Bretz and Hong-Cai Zhou
Journal of Chemical Education2009 86 (8), 946
- Designing, Teaching, and Evaluating a Unit on Symmetry and Crystallography in the High School Classroom
  Nathaniel P. Grove , Nathan P. Guerin , David J. Collins , Joseph J. López , Stacey Lowery Bretz and Hong-Cai Zhou
  Journal of Chemical Education2009 86 (8), 946
  An innovative teaching and research partnership was developed in collaboration with public high school chemistry teachers from the Talawanda (Ohio) School District and faculty, staff, and students from Miami University. With the involvement of high school ...
  Abstract | Hi-Res PDF | PDF w/ Links
The Incorporation of Single Crystal X-ray Diffraction into the Undergraduate Chemistry Curriculum Using Internet-Facilitated Remote Diffractometer Control
P. S. Szalay , M. Zeller and A. D. Hunter
Journal of Chemical Education2005 82 (10), 1555
- The Incorporation of Single Crystal X-ray Diffraction into the Undergraduate Chemistry Curriculum Using Internet-Facilitated Remote Diffractometer Control
  P. S. Szalay , M. Zeller and A. D. Hunter
  Journal of Chemical Education2005 82 (10), 1555
  A laboratory experiment on single crystal X-ray diffraction has been developed and implemented in an inorganic chemistry course for undergraduate students via Internet-facilitated remote diffractometer control. The experiment was carried out from a remote ...
  Abstract | Hi-Res PDF | PDF w/ Links
Crystallographic Study of Manganese(III) Acetylacetonate: An Advanced Undergraduate Project with Unexpected Challenges
Silvano Geremia and Nicola Demitri
Journal of Chemical Education2005 82 (3), 460
- Crystallographic Study of Manganese(III) Acetylacetonate: An Advanced Undergraduate Project with Unexpected Challenges
  Silvano Geremia and Nicola Demitri
  Journal of Chemical Education2005 82 (3), 460
  An advanced undergraduate crystallographic experiment is proposed that integrates the well-tested protocol for synthesis of manganese acetylacetonate, Mn(acac)3, with a new low-temperature characterization of the crystal structure of the synthesized ...
  Abstract | Hi-Res PDF | PDF w/ Links
Integrating Single Crystal X-Ray Diffraction in the Undergraduate Curriculum
Patrick E. Hoggard
Journal of Chemical Education2002 79 (4), 420
- Integrating Single Crystal X-Ray Diffraction in the Undergraduate Curriculum
  Patrick E. Hoggard
  Journal of Chemical Education2002 79 (4), 420
  Aspects of single crystal X-ray crystallography have been introduced into all four years of the chemistry curriculum at Santa Clara University. The laboratory components consist of (a) the determination of a molecular structure from a data set in year one,...
  Abstract | Hi-Res PDF | PDF w/ Links