• Here is a series of three videos illustrating how to use a bootable Puppy Linux live DVD for quantum chemistry calculations. Video 1 shows how to use the program Molden to build a model of the water molecule, while Video 2 illustrates the process of using ORCA to optimize the water molecule's structure with density functional theory (DFT) methods. In Video 3, it is described how to get a high-quality wavefunction for the water molecule using a hybrid of Hartree Fock and DFT methods, and finally, the latter wavefunction is used as input for the Natural Bond Orbital program so that the bonding and lone electron pairs in the molecule can be visualized using Jmol.
  • Before one can prepare the molybdenum or titanium complexes M(N[tBu]Ar)3, videos for which are linked in below, one needs to prepare the aniline HN[tBu]Ar; here, Ar is defined as 3,5-C6H3Me2. Also, the aniline must be deprotonated using n-butyllithium. These procedures are carried out on the "bucket" scale as documented in videos Ligand Synthesis, Part 1 and Ligand Synthesis, Part 2, narrated by graduate student Daniel Tofan and filmed by visiting graduate student Carolin Albrecht. The procedures in these videos are adapted from those reported in the following paper: Reactions of organic nitriles with a three-coordinate molybdenum(III) complex and with a related molybdaziridine-hydride.
  • Here is some video from the Cummins Lab whale watch in the summer of 2011.
  • Here is the synthesis of titanium trisanilide, a mononuclear titanium(III) complex having the formula Ti(N[tBu]Ar)3, where Ar is defined as 3,5-C6H3Me2. The video is presented in four segments: Part 1, Part 2, Part 3 and Part 4, that delineate the details of the synthesis beginning with TiCl3(THF)3. The procedure is carried out by graduate student Jared S. Silvia, while the video was shot by undergraduate researcher Taneah J. Turner. For more information on the synthesis of Ti(N[tBu]Ar)3, the interested reader should consult the paper in which this procedure was originally reported.
  • This is the preparation of AsP3, a substance that like white phosphorus is composed of tetrahedral tetra-atomic molecules. The synthesis is performed by Ph.D. student Brandi M. Cossairt, with additional commentary from graduate student Alexandra Velian who also operated the camera. Part 1a and Part 1b of the synthesis involve carrying out the reaction in an inert-atmosphere, while Part 2a and Part 2b deal with the work-up and purification of the AsP3 by sublimation.
    Here is a link to the first paper describing the synthesis and properties of AsP3: Science 2009, 323, 603.
  • Mo(N[tBu]Ar)3. This is the preparation of Mo(N[tBu]Ar)3, affectionately known as "molly trisanilide", where Ar is defined as 3,5-C6H3Me2. Originally synthesized by undergraduate researcher Catalina E. Laplaza at MIT, studies of the reactivity of this molecule including complete six-electron N2 cleavage have led to many interesting results. For an early review of molly trisanilide chemistry, see: Chem. Commun., 1998, 1777-1786.
  • MoCl3(THF)3. In this episode, the conversion is illustrated of MoCl4(OEt2)2 to valuable MoCl3(THF)3. The preparation is carried out by Dr. John J. Curley. The procedure is a modification of one reported originally by Poli et al.: Eur. J. Inorg. Chem. 2001, 2699-2703.
  • MoCl4(OEt2)2. In this episode, the conversion is illustrated of commercially available MoCl5 to MoCl4(OEt2)2 using tin shot as the reducing agent. The preparation is carried out by Dr. John J. Curley. The procedure is a modification of one reported originally by Poli et al.: Eur. J. Inorg. Chem. 2001, 2699-2703.


Some good links:
Inorganic Syntheses / ACS Journals / ACIE


Copyright © 2009 Christopher C. Cummins.
Webdesign by Jonas John.

home / members / molecules / publications