Carolyn Brock

  • Professor Emerita of Chemistry
  • Chemistry
  • Physical
148C Chemistry-Physics Building
859-257-1959
Research Interests:
Education

Ph.D., Northwestern University, 1972
B.A., Wellesley College, 1968

Research

Professor Brock's research interests center on the structures and properties of molecular crystals. She is particularly interested in the systematics of packing in molecular crystals, and in the design, synthesis, and characterization of solid-state molecular complexes.

Systematics of Crystal Packing

Two types of questions are being investigated. First, to what extent does molecular recognition break down during crystal growth? How often are impurities incorporated into growing crystals? How often are solid solutions formed? We are studying this question by characterizing the crystals precipitated from solutions containing two similar solutes, e.g., two different para-substituted benzoic acids or two different members of the series C6(CH3)nCl6-n. The crystals may be formed exclusively of one solute or the other, the crystals may be solid solutions, or a solid-state compound may be formed. Second, we are using the Cambridge Structural Database to answer more general questions about crystal packing; e.g., how often is the symmetry of a molecule maintained in its crystals? If a molecule has a six-fold rotation axis in solution, what is the chance that its crystals are hexagonal?

Phase Relationships: Polymorphs and Solid-State Molecular Complexes

We are combining information from single-crystal and powder diffraction studies with the results of thermal measurements to construct schematic phase diagrams for molecular crystals. While studying trans-1,2-cyclohexanediol (CHD) in this way we discovered an unusual layered compound of the diol with triphenylphosphine oxide (TPPO).

Graduate Training

Physical Chemistry

Selected Publications: 
  • C.P. Brock, “High-Z’ Structures of Organic Molecules:  Their Diversity and Organizing Principles", Acta Cryst., 2016B72, 807-821. (view pdf)  (view Commentary)
  • E. Wachter, E. C. Glazer, S. Parkin & C.P. Brock, “An Exceptional 5:4 Enantiomeric Structure”, Acta Cryst., 2016, B72, 223-231. (view pdf)
  • R. C. Bakus II, D. A. Atwood, S. Parkin, C. P. Brock & V. Petříček, “C6H4S2AsCl:  Description and Interpretation of an Incommensurately Modulated Molecular Crystal Structure”, Acta Cryst., 2013, 496-508. (view pdf)
  • M. A. Siegler, S. Parkin & C. P. Brock, “[Ni(MeCN)(H2O)2(NO3)2] (15-crown-5) MeCN:  Detailed Study of a Four-Phase Sequence that Includes an Intermediate Modulated Phase”, Acta Cryst., 2012, B68, 389-400. (view pdf)
  • C. P. Brock, “Learning from Outliers”, ACA Transactions, 2012, 43, (20 pp.).  http://www.amercrystalassn.org/2012-transactions
  • M. A. Siegler, X. Hao, S. Parkin & C. P. Brock, "[Ni(H2O)6](NO3)2·(15-crown-5)·2H2O:  Three Phase Transitions and an Intermediate Modulated Phase Stable over a range of ca. 40 K”,Acta Cryst., 2011, B67, 486-498. (view pdf)
  • M. A. Siegler, S. Parkin, R. J. Angel & C. P. Brock, "Detailed Study of the Phase Transition in [Ni(H2O)6](NO3)2.(15-crown-5)].H2O and Analysis in Terms of Mean-Field Theory", Acta Cryst., 2011, B67, 130-143. (view pdf)
  • S. P. Kelley, L. Fábián & C. P. Brock, "Failures of Fractional Crystallization: Ordered Co-Crystals of Isomers and Near Isomers", Acta Cryst., 2011, B67, 79-93. (view pdf)
  • M. A. Siegler, J. H. Prewitt, S. P. Kelley, S. Parkin, J. P. Selegue & C. P. Brock, "More examples of the 15-crown-5···H2O-M-OH2···15-crown-5 motif, M = Al3+, Cr3+ and Pd2+", Acta Cryst., 2010, B66, 213-221. (view pdf)
  • L. Fábián & C. P. Brock, "A List of Organic Kryptoracemates", Acta Cryst., 2010, B66, 94-103. (view pdf)
  • M. A. Siegler, Z. Hao, S. Parkin & C. P. Brock, "Five More Phases of the Structural Family [M(H2O)2(15-crown-5)](NO3)2", Acta Cryst., 2008, B64, 738-749. (view pdf)
  • M. A. Siegler, S. Parkin, J. P. Selegue & C. P. Brock, "The Elusive [Ni(H2O)2 (15-crown-5)]2+ Cation and Related Co-Crystals of Ni(II) Hydrates and 15-Crown-5", Acta Cryst., 2008, B64, 725-737. (view pdf)
  • S. Long, S. Parkin, M. Siegler, C. P. Brock, A. Cammers & T.Li, "Polymorphism of an Organic System Effected by the Directionality of Hydrogen-Bonding Chains", Cryst. Growth Des., 2008, 8, 3137-3140.
  • M. A. Siegler, Y. Fu, G. H. Simpson, D. P. King, S. Parkin & C. P. Brock, "An Unexpected Co-Crystal with a Variable Degree of Order: 1:1 rac-1,2-Cyclohexanediol/Triphenylphosphine Oxide", Acta Cryst., 2007, B63, 912-925. (view pdf)
  • M. A. Lloyd, G. E. Patterson, G. H. Simpson, L. L. Duncan, D. P. King, Y. Fu, B. O. Patrick, S. Parkin & C. P. Brock, "Solid-State Compounds of Stereoisomers: cis and trans Isomers of 1,2-Cyclohexanediol and 2,3-Tetralindiol", Acta Cryst., 2007, B63, 433-447. (view pdf)
  • B. O. Patrick & C. P. Brock, "S,S-1,2-Dicyclohexylethane-1,2-diol and Its Racemic Compound: A Striking Exception to Wallach's Rule", Acta Cryst., 2006, B62, 488-497. (view pdf)
  • X. Hao, S. Parkin & C. P. Brock, "The Unusual Phases of Anhydrous and Hydrated Pinacol", Acta Cryst., 2005, B61, 689-699. (view pdf)
  • X. Hao, M. A. Siegler, S. Parkin & C. P. Brock, "[M(H2O)2(15-crown-5)](NO3)2: A System Rich in Polymorphs and Modulated Phases", Cryst. Growth Des., 2005, 5, 2225-2232.
  • X. Hao, S. Parkin & C. P. Brock, "Three Modulation Patterns in Four Related [M(15-crown-5)(H2O)2](NO3)2 Structures", ", Acta Cryst., 2005, B61, 675-688. (view pdf)
  • X. Hao, J. Chen, A. Cammers, S. Parkin & C. P. Brock, "A Helical Structure with Z'=10", Acta Cryst., 2005, B61, 218-226. (view pdf)
  • H.-J. Lehmler, S. Parkin & C. P. Brock, "Packing Conflicts in the Z'=5 Structure of CF3(CF2)3(CH2)10COOH", Acta Cryst., 2004, B60, 325-332. (view pdf)
  • S. Parkin, X. Hao & C. P. Brock, "2-Biphenylol Revisited", Acta Cryst., 2004, B60, 197-203. (view pdf)
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  • For a more complete list of earlier publications please see the alternative website (link near the top right of this page under the heading "Connect").
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