Infrared photodissociation of aniline(H 2O) n + (n = 7-12) clusters

Md Alauddin; Jae Kyu Song; Seung Min Park

doi:10.1016/j.ijms.2012.02.004

Infrared photodissociation of aniline(H ₂O) _n ⁺ (n = 7-12) clusters

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12 Citations (Scopus)

Abstract

Infrared (IR) photodissociation spectra of aniline(H ₂O) _n ⁺ (n = 7-12) clusters in the region of 2800-3900 cm ^-1 have been explicitly analyzed to elucidate their structures and structural strains in hydrogen bonding networks. Due to the potential barrier between anilide radical and hydrated water clusters (n = 7-12), our experimental and theoretical results suggest that there is no proton-transferred structure in n = 7-12 cluster. The spectroscopic results, combined with DFT calculations show a clear systematic change in hydrogen-bonded topology from a multiple-ring to a cage-like topology as their size increases from n = 7 to 12.

Original language	English
Pages (from-to)	49-56
Number of pages	8
Journal	International Journal of Mass Spectrometry
Volume	314
DOIs	https://doi.org/10.1016/j.ijms.2012.02.004
Publication status	Published - 15 Mar 2012

Bibliographical note

Funding Information:
This work was supported by the National Research Foundation of Korea (No. 2009-0079060 ).

Copyright:
Copyright 2012 Elsevier B.V., All rights reserved.

Keywords

Cluster compounds
Hydrogen-bonded topology
Infrared spectroscopy
Non-proton transfer process

Access to Document

10.1016/j.ijms.2012.02.004

Cite this

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title = "Infrared photodissociation of aniline(H 2O) n + (n = 7-12) clusters",

abstract = "Infrared (IR) photodissociation spectra of aniline(H 2O) n + (n = 7-12) clusters in the region of 2800-3900 cm -1 have been explicitly analyzed to elucidate their structures and structural strains in hydrogen bonding networks. Due to the potential barrier between anilide radical and hydrated water clusters (n = 7-12), our experimental and theoretical results suggest that there is no proton-transferred structure in n = 7-12 cluster. The spectroscopic results, combined with DFT calculations show a clear systematic change in hydrogen-bonded topology from a multiple-ring to a cage-like topology as their size increases from n = 7 to 12.",

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AU - Alauddin, Md

AU - Song, Jae Kyu

AU - Park, Seung Min

PY - 2012/3/15

Y1 - 2012/3/15

N2 - Infrared (IR) photodissociation spectra of aniline(H 2O) n + (n = 7-12) clusters in the region of 2800-3900 cm -1 have been explicitly analyzed to elucidate their structures and structural strains in hydrogen bonding networks. Due to the potential barrier between anilide radical and hydrated water clusters (n = 7-12), our experimental and theoretical results suggest that there is no proton-transferred structure in n = 7-12 cluster. The spectroscopic results, combined with DFT calculations show a clear systematic change in hydrogen-bonded topology from a multiple-ring to a cage-like topology as their size increases from n = 7 to 12.

AB - Infrared (IR) photodissociation spectra of aniline(H 2O) n + (n = 7-12) clusters in the region of 2800-3900 cm -1 have been explicitly analyzed to elucidate their structures and structural strains in hydrogen bonding networks. Due to the potential barrier between anilide radical and hydrated water clusters (n = 7-12), our experimental and theoretical results suggest that there is no proton-transferred structure in n = 7-12 cluster. The spectroscopic results, combined with DFT calculations show a clear systematic change in hydrogen-bonded topology from a multiple-ring to a cage-like topology as their size increases from n = 7 to 12.

KW - Cluster compounds

KW - Hydrogen-bonded topology

KW - Infrared spectroscopy

KW - Non-proton transfer process

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