A Unified Perspective on the Nature of Bonding in Pairwise Interatomic Interactions

ORAL

Abstract

Different classes of ground electronic state pairwise interatomic interactions are referenced to a single canonical potential using explicit transformations. These approaches have been applied to diatomic molecules N$_2$, CO, H$_2$Ca$_2$, O$_2$; argon dimer, and one-dimensional cuts through multidimensional potentials of OC-HBr, OC-HF, OC-HCCH, OC-HCN, OC-HCl, OC-HI, OC-BrCl, and OC-Cl2 using accurate semi-empirically determined interatomic Rydberg-Klein-Rees (RKR) and morphed intermolecular potentials. These different bonding categories are represented in these systems which vary from van der Waals, halogen bonding, hydrogen bonding to strongly bound covalent molecules with binding energies covering three orders of magnitude from 84.5 cm$^{-1}$ approaches were then utilized to give a unified perspective on the nature of bonding in the whole range of diatomic and intermolecular interactions investigated to 89600.6 cm$^{-1}$ in ground state dissociation energies.

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Authors

  • Robert Lucchese Lucchese

    Texas A\&M University

  • Darren Depoy

    University of Michigan, Univeristy of Michigan, Texas A\&M University, UC Riverside, University of Massachusetts, STScI, NOAO, University of Texas, Cyclotron Institute, Texas A\&M University, ENEA, Italy, INFN, Italy, University of Texas at Austin, TX, Cyclotron Institute, TAMU, TX, Cyclotron Institute TAMU, TX, Cyclotron Institute - Texas A\&M University, Texas A\&M Univ, Texas A\&M University, Baylor University, Department of Physics and Astronomy, Texas A\&M University, College Station, Texas, School of Materials Science and Engineering, Shanghai Jiaotong University, Shanghai, 200240, China, Department of Materials Science and Engineering, Texas A\&M University, College Station, Texas, Department of Mechanical Engineering, Texas A\&M University, College Station, Texas, Texas State University, University of Texas at Arlington, Lawrence Berkeley National Laboratory, DESY, Department of Physics and Astronomy, Texas A\&M University, Department of Physics, Syracuse University, Department of Physics and Astronomy, Vanderbilt University, Texas A\&M University, Princeton University and Baylor University, Texas A\&M Univ at Qatar, Kazan Federal University, Max Planck Institute for Nuclear Physics, Institue for Quantum Science and Engineering (IQSE) and Department of Physics \& Astronomy, Texas A\&M University, College Station, Texas 77843, USA, MIT, Sandia National Laboratories, Albuquerque, New Mexico, Postgrad, ORNL, Muons Inc., Texas Lutheran University, West Virginia University, Lawrence Livermore National Laboratory, University of Kentucky, US Naval Academy, University of Dallas, U.S. Naval Academy, Univ of Texas, Arlington, Department of Physics, Texas A\&M University, College Station, TX 77845, Science and Petroleum Departments, Texas A\&M University in Qatar, Doha, Qatar, Rice University, Houston, Texas, USA, Department of Physics, Texas State University, Florida A\&M University, Texas A\&M University in Qatar, Doha, Qatar, Physics and Astronomy Dept., TCU, Geology Dept., TCU, Colorado College, University of Texas at El Paso, University of Texas at Brownsville, Rochester Institute of Technology, Baylor University, Texas A\&M, Princeton University, Baylor University, Princeton University, Texas A\&M University, Materials Science and Engineering and Department of Physics and Astronomy, Texas A\&M University; WPI-AIMR, Tohoku University, Japan, WPI-AIMR, Tohoku University, Department of Chemistry, Texas A\&M University, Materials Science and Engineering and Department of Physics and Astronomy, Texas A\&M University, WPI-AIMR, Tohoku University, Japan, Department of Physics and Astronomy, Texas A\&M University, College Station, Texas 77843, USA, Department of Physics and Astronomy, Texas A\&M University and WPI-Advanced Institute for Materials Research, Tohoku University, Japan, University of Texas at Austin, Center for Nonlinear Dynamics and Department of Physics, The University of Texas at Austin, JILA, NIST, Department of Physics and Astronomy, Texas A\&M University and Institute for Quantum Studies and Engineering, College Station, TX 77843-4242, USA, Institute of Applied Physics of the Russian Academy of Sciences, 46 Ulyanov street, Nizhny Novgorod 603950, Russia, Department of Physics, University of Texas at Austin, Rice University, Texas A&M University

  • Darren Depoy

    University of Michigan, Univeristy of Michigan, Texas A\&M University, UC Riverside, University of Massachusetts, STScI, NOAO, University of Texas, Cyclotron Institute, Texas A\&M University, ENEA, Italy, INFN, Italy, University of Texas at Austin, TX, Cyclotron Institute, TAMU, TX, Cyclotron Institute TAMU, TX, Cyclotron Institute - Texas A\&M University, Texas A\&M Univ, Texas A\&M University, Baylor University, Department of Physics and Astronomy, Texas A\&M University, College Station, Texas, School of Materials Science and Engineering, Shanghai Jiaotong University, Shanghai, 200240, China, Department of Materials Science and Engineering, Texas A\&M University, College Station, Texas, Department of Mechanical Engineering, Texas A\&M University, College Station, Texas, Texas State University, University of Texas at Arlington, Lawrence Berkeley National Laboratory, DESY, Department of Physics and Astronomy, Texas A\&M University, Department of Physics, Syracuse University, Department of Physics and Astronomy, Vanderbilt University, Texas A\&M University, Princeton University and Baylor University, Texas A\&M Univ at Qatar, Kazan Federal University, Max Planck Institute for Nuclear Physics, Institue for Quantum Science and Engineering (IQSE) and Department of Physics \& Astronomy, Texas A\&M University, College Station, Texas 77843, USA, MIT, Sandia National Laboratories, Albuquerque, New Mexico, Postgrad, ORNL, Muons Inc., Texas Lutheran University, West Virginia University, Lawrence Livermore National Laboratory, University of Kentucky, US Naval Academy, University of Dallas, U.S. Naval Academy, Univ of Texas, Arlington, Department of Physics, Texas A\&M University, College Station, TX 77845, Science and Petroleum Departments, Texas A\&M University in Qatar, Doha, Qatar, Rice University, Houston, Texas, USA, Department of Physics, Texas State University, Florida A\&M University, Texas A\&M University in Qatar, Doha, Qatar, Physics and Astronomy Dept., TCU, Geology Dept., TCU, Colorado College, University of Texas at El Paso, University of Texas at Brownsville, Rochester Institute of Technology, Baylor University, Texas A\&M, Princeton University, Baylor University, Princeton University, Texas A\&M University, Materials Science and Engineering and Department of Physics and Astronomy, Texas A\&M University; WPI-AIMR, Tohoku University, Japan, WPI-AIMR, Tohoku University, Department of Chemistry, Texas A\&M University, Materials Science and Engineering and Department of Physics and Astronomy, Texas A\&M University, WPI-AIMR, Tohoku University, Japan, Department of Physics and Astronomy, Texas A\&M University, College Station, Texas 77843, USA, Department of Physics and Astronomy, Texas A\&M University and WPI-Advanced Institute for Materials Research, Tohoku University, Japan, University of Texas at Austin, Center for Nonlinear Dynamics and Department of Physics, The University of Texas at Austin, JILA, NIST, Department of Physics and Astronomy, Texas A\&M University and Institute for Quantum Studies and Engineering, College Station, TX 77843-4242, USA, Institute of Applied Physics of the Russian Academy of Sciences, 46 Ulyanov street, Nizhny Novgorod 603950, Russia, Department of Physics, University of Texas at Austin, Rice University, Texas A&M University

  • Darren Depoy

    University of Michigan, Univeristy of Michigan, Texas A\&M University, UC Riverside, University of Massachusetts, STScI, NOAO, University of Texas, Cyclotron Institute, Texas A\&M University, ENEA, Italy, INFN, Italy, University of Texas at Austin, TX, Cyclotron Institute, TAMU, TX, Cyclotron Institute TAMU, TX, Cyclotron Institute - Texas A\&M University, Texas A\&M Univ, Texas A\&M University, Baylor University, Department of Physics and Astronomy, Texas A\&M University, College Station, Texas, School of Materials Science and Engineering, Shanghai Jiaotong University, Shanghai, 200240, China, Department of Materials Science and Engineering, Texas A\&M University, College Station, Texas, Department of Mechanical Engineering, Texas A\&M University, College Station, Texas, Texas State University, University of Texas at Arlington, Lawrence Berkeley National Laboratory, DESY, Department of Physics and Astronomy, Texas A\&M University, Department of Physics, Syracuse University, Department of Physics and Astronomy, Vanderbilt University, Texas A\&M University, Princeton University and Baylor University, Texas A\&M Univ at Qatar, Kazan Federal University, Max Planck Institute for Nuclear Physics, Institue for Quantum Science and Engineering (IQSE) and Department of Physics \& Astronomy, Texas A\&M University, College Station, Texas 77843, USA, MIT, Sandia National Laboratories, Albuquerque, New Mexico, Postgrad, ORNL, Muons Inc., Texas Lutheran University, West Virginia University, Lawrence Livermore National Laboratory, University of Kentucky, US Naval Academy, University of Dallas, U.S. Naval Academy, Univ of Texas, Arlington, Department of Physics, Texas A\&M University, College Station, TX 77845, Science and Petroleum Departments, Texas A\&M University in Qatar, Doha, Qatar, Rice University, Houston, Texas, USA, Department of Physics, Texas State University, Florida A\&M University, Texas A\&M University in Qatar, Doha, Qatar, Physics and Astronomy Dept., TCU, Geology Dept., TCU, Colorado College, University of Texas at El Paso, University of Texas at Brownsville, Rochester Institute of Technology, Baylor University, Texas A\&M, Princeton University, Baylor University, Princeton University, Texas A\&M University, Materials Science and Engineering and Department of Physics and Astronomy, Texas A\&M University; WPI-AIMR, Tohoku University, Japan, WPI-AIMR, Tohoku University, Department of Chemistry, Texas A\&M University, Materials Science and Engineering and Department of Physics and Astronomy, Texas A\&M University, WPI-AIMR, Tohoku University, Japan, Department of Physics and Astronomy, Texas A\&M University, College Station, Texas 77843, USA, Department of Physics and Astronomy, Texas A\&M University and WPI-Advanced Institute for Materials Research, Tohoku University, Japan, University of Texas at Austin, Center for Nonlinear Dynamics and Department of Physics, The University of Texas at Austin, JILA, NIST, Department of Physics and Astronomy, Texas A\&M University and Institute for Quantum Studies and Engineering, College Station, TX 77843-4242, USA, Institute of Applied Physics of the Russian Academy of Sciences, 46 Ulyanov street, Nizhny Novgorod 603950, Russia, Department of Physics, University of Texas at Austin, Rice University, Texas A&M University

  • Darren Depoy

    University of Michigan, Univeristy of Michigan, Texas A\&M University, UC Riverside, University of Massachusetts, STScI, NOAO, University of Texas, Cyclotron Institute, Texas A\&M University, ENEA, Italy, INFN, Italy, University of Texas at Austin, TX, Cyclotron Institute, TAMU, TX, Cyclotron Institute TAMU, TX, Cyclotron Institute - Texas A\&M University, Texas A\&M Univ, Texas A\&M University, Baylor University, Department of Physics and Astronomy, Texas A\&M University, College Station, Texas, School of Materials Science and Engineering, Shanghai Jiaotong University, Shanghai, 200240, China, Department of Materials Science and Engineering, Texas A\&M University, College Station, Texas, Department of Mechanical Engineering, Texas A\&M University, College Station, Texas, Texas State University, University of Texas at Arlington, Lawrence Berkeley National Laboratory, DESY, Department of Physics and Astronomy, Texas A\&M University, Department of Physics, Syracuse University, Department of Physics and Astronomy, Vanderbilt University, Texas A\&M University, Princeton University and Baylor University, Texas A\&M Univ at Qatar, Kazan Federal University, Max Planck Institute for Nuclear Physics, Institue for Quantum Science and Engineering (IQSE) and Department of Physics \& Astronomy, Texas A\&M University, College Station, Texas 77843, USA, MIT, Sandia National Laboratories, Albuquerque, New Mexico, Postgrad, ORNL, Muons Inc., Texas Lutheran University, West Virginia University, Lawrence Livermore National Laboratory, University of Kentucky, US Naval Academy, University of Dallas, U.S. Naval Academy, Univ of Texas, Arlington, Department of Physics, Texas A\&M University, College Station, TX 77845, Science and Petroleum Departments, Texas A\&M University in Qatar, Doha, Qatar, Rice University, Houston, Texas, USA, Department of Physics, Texas State University, Florida A\&M University, Texas A\&M University in Qatar, Doha, Qatar, Physics and Astronomy Dept., TCU, Geology Dept., TCU, Colorado College, University of Texas at El Paso, University of Texas at Brownsville, Rochester Institute of Technology, Baylor University, Texas A\&M, Princeton University, Baylor University, Princeton University, Texas A\&M University, Materials Science and Engineering and Department of Physics and Astronomy, Texas A\&M University; WPI-AIMR, Tohoku University, Japan, WPI-AIMR, Tohoku University, Department of Chemistry, Texas A\&M University, Materials Science and Engineering and Department of Physics and Astronomy, Texas A\&M University, WPI-AIMR, Tohoku University, Japan, Department of Physics and Astronomy, Texas A\&M University, College Station, Texas 77843, USA, Department of Physics and Astronomy, Texas A\&M University and WPI-Advanced Institute for Materials Research, Tohoku University, Japan, University of Texas at Austin, Center for Nonlinear Dynamics and Department of Physics, The University of Texas at Austin, JILA, NIST, Department of Physics and Astronomy, Texas A\&M University and Institute for Quantum Studies and Engineering, College Station, TX 77843-4242, USA, Institute of Applied Physics of the Russian Academy of Sciences, 46 Ulyanov street, Nizhny Novgorod 603950, Russia, Department of Physics, University of Texas at Austin, Rice University, Texas A&M University

  • Darren Depoy

    University of Michigan, Univeristy of Michigan, Texas A\&M University, UC Riverside, University of Massachusetts, STScI, NOAO, University of Texas, Cyclotron Institute, Texas A\&M University, ENEA, Italy, INFN, Italy, University of Texas at Austin, TX, Cyclotron Institute, TAMU, TX, Cyclotron Institute TAMU, TX, Cyclotron Institute - Texas A\&M University, Texas A\&M Univ, Texas A\&M University, Baylor University, Department of Physics and Astronomy, Texas A\&M University, College Station, Texas, School of Materials Science and Engineering, Shanghai Jiaotong University, Shanghai, 200240, China, Department of Materials Science and Engineering, Texas A\&M University, College Station, Texas, Department of Mechanical Engineering, Texas A\&M University, College Station, Texas, Texas State University, University of Texas at Arlington, Lawrence Berkeley National Laboratory, DESY, Department of Physics and Astronomy, Texas A\&M University, Department of Physics, Syracuse University, Department of Physics and Astronomy, Vanderbilt University, Texas A\&M University, Princeton University and Baylor University, Texas A\&M Univ at Qatar, Kazan Federal University, Max Planck Institute for Nuclear Physics, Institue for Quantum Science and Engineering (IQSE) and Department of Physics \& Astronomy, Texas A\&M University, College Station, Texas 77843, USA, MIT, Sandia National Laboratories, Albuquerque, New Mexico, Postgrad, ORNL, Muons Inc., Texas Lutheran University, West Virginia University, Lawrence Livermore National Laboratory, University of Kentucky, US Naval Academy, University of Dallas, U.S. Naval Academy, Univ of Texas, Arlington, Department of Physics, Texas A\&M University, College Station, TX 77845, Science and Petroleum Departments, Texas A\&M University in Qatar, Doha, Qatar, Rice University, Houston, Texas, USA, Department of Physics, Texas State University, Florida A\&M University, Texas A\&M University in Qatar, Doha, Qatar, Physics and Astronomy Dept., TCU, Geology Dept., TCU, Colorado College, University of Texas at El Paso, University of Texas at Brownsville, Rochester Institute of Technology, Baylor University, Texas A\&M, Princeton University, Baylor University, Princeton University, Texas A\&M University, Materials Science and Engineering and Department of Physics and Astronomy, Texas A\&M University; WPI-AIMR, Tohoku University, Japan, WPI-AIMR, Tohoku University, Department of Chemistry, Texas A\&M University, Materials Science and Engineering and Department of Physics and Astronomy, Texas A\&M University, WPI-AIMR, Tohoku University, Japan, Department of Physics and Astronomy, Texas A\&M University, College Station, Texas 77843, USA, Department of Physics and Astronomy, Texas A\&M University and WPI-Advanced Institute for Materials Research, Tohoku University, Japan, University of Texas at Austin, Center for Nonlinear Dynamics and Department of Physics, The University of Texas at Austin, JILA, NIST, Department of Physics and Astronomy, Texas A\&M University and Institute for Quantum Studies and Engineering, College Station, TX 77843-4242, USA, Institute of Applied Physics of the Russian Academy of Sciences, 46 Ulyanov street, Nizhny Novgorod 603950, Russia, Department of Physics, University of Texas at Austin, Rice University, Texas A&M University