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HIGH-RESOLUTION IR SPECTRUM MEASUREMENT OF THE LINE PARAMETERS OF HYDROGEN FLUORIDE IN GAS PHASE

A.X.Amonov


In this paper we present an unique high resolution FTIR rotation-vibration spectrum of H19F molecule and derived most necessary line by line parameters of the title complex. The formation mechanisms of the vibration-rotation infrared spectrum of the hydrogen fluoride have been explained. Optimal geometry and total electron density surface 3D have been mapped with electrostatic potential determined for (HF)3 cluster with mp2=full/6-311++g(3df,3pd) levels of theory.



https://doi.org/10.59251/2181-1296.v3.1211.1146

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