Structural and energetic properties of OC–BX3 complexes: unrealized potential for bond-stretch isomerism

We have explored the structural and energetic properties of OC–BX3 (X = F, Cl, or Br) complexes using computations and low-temperature infrared spectroscopy. Quantum-chemical calculations have provided equilibrium structures, binding energies, vibrational frequencies, and B–C potential energy curves...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2021-07, Vol.23 (27), p.14678-14686
Hauptverfasser:	Munos, Jordan A, Lowney, Diego T, Phillips, James A
Format:	Artikel
Sprache:	eng
Schlagworte:	Bonding strength Boron chlorides Low temperature Potential energy Quantum chemistry
Online-Zugang:	Volltext
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