Gas-phase chemistry of NHxCly+ ions. 3. Structure, stability, and reactivity of protonated trichloramine

Journal of Physical Chemistry A

Volumn 107, Issue 12, 2003, Pages 2085-2092

  Pepi, Federico ^a   Ricci, Andreina ^a   Rosi, Marzio ^b  

^a SAPIENZA UNIVERSITY OF ROME   (Italy)

^b UNIVERSITY OF PERUGIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALINITY; AMINES; ATOMS; COMPUTATIONAL METHODS; ENTHALPY; FOURIER TRANSFORM INFRARED SPECTROSCOPY; IONS; ISOMERS; MASS SPECTROMETRY; MOLECULAR STRUCTURE; NITROGEN; REACTION KINETICS;

FOURIER TRANSFORM ION CYCLOTRON RESONANCE; GAS PHASE BASICITIES; PROTONATED TRICHLORAMINE;

MOLECULAR DYNAMICS;

EID: 0038400135     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp026979n     Document Type: Article

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58. +), 987.0 kJ/mol at B3LYP level, 1002.9 kJ/mol at the CCDD(T).
59. +), 1086.6 kJ/mol at B3LYP level, 1107.9 kJ/mol at the CCDD(T) (this work).