Quantum chemical study of the reaction of NH 4  +  with alkylmercury halides in the gas phase | Zendy

Zagorevskii Dmitri C. | Zendy; Nekrasov Yuri S. | Zendy; Raevski Nikolai I. | Zendy

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Quantum chemical study of the reaction of NH 4 + with alkylmercury halides in the gas phase

Author(s) -

Zagorevskii Dmitri C.,

Nekrasov Yuri S.,

Raevski Nikolai I.

Publication year - 1992

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.1210270505

Subject(s) - mndo , thermochemistry , chemistry , halide , protonation , gas phase , standard enthalpy of formation , molecule , ion , quantum chemical , quantum chemistry , inorganic chemistry , medicinal chemistry , computational chemistry , organic chemistry , supramolecular chemistry

Calculations on the thermochemistry of reactions between NH 4 + ions and EtHgX molecules (X = Cl, Br, I) were performed by the MNDO method. The calculations showed the possible existence of two stable isomers of composition [EtHgX, NH 4 ] + namely [EtHgX…HNH 3 ] + and [EtHg(NH 3 )XH] + . Protonation of EtHgX and of CH 2 CHHgX by NH 4 + is characterized by high exothermicity.

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