Anti and gauche conformers of an inorganic butane analogue, NH _3BH _2NH _2BH _3 The crystal structures of an inorganic butane analogue, NH _3BH _2NH _2BH _3 (DDAB), were determined using single crystal X-ray diffraction, revealing both anti and gauche conformations. The anti conforma...
ChemInform Abstract: The Gauche, Ortho, and Anti Conformers of Perfluoro‐n‐butane: Matrix‐ Isolation IR SpectraIR and Raman spectra (organic substanceshalogen compounds (acyclic compoundsstructure (organic substancesChemInform is a weekly Abstracting Service, delivering concise information at a glance ...
Fig. 5. The upper part of the figure shows the antipsoriatic agent Sch-40120 and its two enantiomeric conformers (Friary et al., 1996). The lower part features gossypol, a natural compound with potent anti-spermatogenic activity. Both compounds have axial chirality, but only gossypol exists ...
We report the IR spectra of three distinct (racemic) conformers of perfluoro-n-butane, recorded under conditions of matrix isolation, and assigned by comparison with HF/6-31G* calculations. We propose to call them gauche (g+/-), ortho (o+/-), and anti (a+/-). Textbook notions of ...
CHEMICAL COMMUNICATIONS- ROYAL SOCIETY OF CHEMISTRYChen, X.; Gallucci, J.; Campana, C.; Huang, Z.; Kingam, H. K.; Shore, S. G.; Zhao, J.-C. Anti and Gauche Conformers of an Inorganic Butane Analogue NH3BH2NH2BH3. Chem. Commun. 2012, 48, 7943-7945....
The LigPrep 2.3 module (LigPrep, version 2.3, 2012, Schrödinger, New York, NY, USA) of the Schrödinger suite was utilized to generate the 3D structures and to search different conformers. The Optimized Potentials for Liquid Simulation (OPLS_2005, Schrödinger, New York, NY, USA) force...