Structural and Energetic Properties of Haloacetonitrile-BCl 3 Complexes: Computations and Matrix-IR Spectroscopy

The FCH CN-BCl and ClCH CN-BCl complexes were investigated by quantum-chemical computations and low-temperature, matrix-isolation-IR spectroscopy. Theory predicts two stable equilibrium structures, with distinctly different B-N distances, for both complexes. One set of structures, which correspond t...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2017-12, Vol.121 (48), p.9252-9261
Hauptverfasser:	Phillips, James A, Danforth, Samuel J, Hora, Nicholas J, Lanska, John R, Waller, Anna W
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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