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McDonnell Hall

MARM 2003 36 th Middle Atlantic Regional Meeting American Chemical Society Princeton University, June 8-11 2003. McDonnell Hall. Chlorine Rule for Br m Cl n Compounds. Ray A. Gross, Jr. Prince George’s Community College. Acknowledgements.

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McDonnell Hall

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  1. MARM 200336th Middle Atlantic Regional MeetingAmerican Chemical SocietyPrinceton University, June 8-11 2003

  2. McDonnell Hall

  3. Chlorine RuleforBrmClnCompounds Ray A. Gross, Jr. Prince George’s Community College

  4. Acknowledgements • Junhua Yan’s Isotope Pattern Calculator http://www.geocities.com/junhuayan/pattern.htm (accessed May 2003). • Instutute of Advanced Industrial Science and Technology; Tsukuba, Ibaraki, Japan SDBSWeb: http://www.aist.go.jp/RIODB/SDBS/ (accessed May 2003). • NSF Grant: DUE-0202431 • Submitted to JCE

  5. Outline • Compare molecular-ion clusters of real and ideal BrmCln compounds • Discover a chlorine rule for BrmClncompounds • Apply the chlorine rule to three spectra

  6. Ideal Model = Binomials (a + b)m(3a + b)n Br1Cl1 (1:1)1(3:1)1 = 3:4:1

  7. Ideal Br1Cl2 (1:1)1(3:1)2 = 9:15:7:1

  8. Chlorine Constant

  9. Bromine Constant

  10. Chlorine Rule for Ideal Compounds IM = 3n When IM = 1, 3, 9, 27 or 81; then n = 0, 1, 2, 3, or 4, resp.

  11. Summary • Find n in BrmClnfrom molecular-ion cluster • Find m from number of cluster peaks • Chlorine rule: a new tool for use in structure determinations

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