Infrared Multiphoton Excitation and Dissociation

King, David S.

doi:10.1002/9780470142745.ch2

Cited by 17 publications

(1 citation statement)

References 132 publications

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“…The relative intensity of the free NH band was calculated to be very weak, while it appears very strong in the experimental spectrum (band B). Due to an internal vibrational redistribution (IVR) of the energy by IR photon absorption, the dissociation efficiency upon the IR-excited free NH vibrational mode is much larger than that upon the hydrogen-bonded NH vibrational mode. − Then, the experimental intensity of the free NH band is stronger than that of the hydrogen-bonded NH band, which has been manifested in the IRPD spectra of various hydrogen-bonded clusters. ,, …”

Section: Resultsmentioning

confidence: 99%

Infrared Spectroscopy of Hydrogen-Bonding Interactions in Neutral Dimethylamine–Methanol Complexes

et al. 2019

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Infrared spectra of the neutral dimethylamine−methanol cluster, DMA− CH 3 OH, were measured in the spectral range of 2800−3900 cm −1 using an infraredvacuum ultraviolet (IR-VUV) scheme. Quantum chemical calculations and ab initio molecular dynamic (AIMD) simulations were carried out to understand the experimental spectral features. Experimental and theoretical results reveal the coexistence of N•••HO and O•••HN hydrogen-bonded structures. AIMD simulations show that the methyl group in methanol internally rotates around the N•••O axis, addressing the dynamic effect of the fluctuation of hydrogen bonds on the vibrational features. The bonding analysis was performed to elucidate the nature of the intermolecular interaction between DMA and CH 3 OH. The present work provides the fundamental understanding of hydrogen-bonding networks in the amine−alcohol complexes.

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