On the gas‐phase reaction of C 3 O 2  +.  with C 3 O 2 | Zendy

Pandolfo L. | Zendy; Paiaro G. | Zendy; Somogyi À. | Zendy; Catinella S. | Zendy; Traldi P. | Zendy

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On the gas‐phase reaction of C 3 O 2 +. with C 3 O 2

Author(s) -

Pandolfo L.,

Paiaro G.,

Somogyi À.,

Catinella S.,

Traldi P.

Publication year - 1994

Publication title -

organic mass spectrometry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.475

H-Index - 121

eISSN - 1096-9888

pISSN - 0030-493X

DOI - 10.1002/oms.1210291005

Subject(s) - ion , gas phase , chemistry , molecule , mass spectrometry , ab initio , ab initio quantum chemistry methods , analytical chemistry (journal) , crystallography , organic chemistry , chromatography

The gas‐phase, ion molecule reaction between C 3 O 2 +. and C 3 O 2 has been studied by both double‐focusing and ion trap mass spectrometry, rationalized by the formation of a dimeric, odd electron cation [C 6 O 4 ] +. which decomposes extensively through sequential CO losses giving rise to [C 5 O 3 ] +. and [C 4 O 2 ] +. ions. The thermodynamics of this process have been investigated by means of ab initio calculation performed on the above species using different basis sets (STO‐3G, 3‐21G and 6‐31G * ).

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