Enhanced E → Z photoisomerisation in 2-aminoazobenzene

José A. Gámez,Axel Koslowski,Walter Thiel

Enhanced E → Z photoisomerisation in 2-aminoazobenzene

2014

José A. Gámez
Axel Koslowski
Walter Thiel

Theoretical non-adiabatic dynamics simulations at the semiempirical OM2/MRCI level reveal an enhanced E → Z photoisomerisation for 2-aminoazobenzene. The E isomer contains an intramolecular hydrogen bond which weakens the azo N–N bond and thus facilitates isomerisation.

Keywords:

Organic chemistry
Isomerization
Hydrogen bond
Intramolecular force
Chemistry
Inorganic chemistry
Computational chemistry

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