Vibrational predissociation of aniline(pyrrole)(water)2+ and aniline(pyrrole)(water)3+: Structures and dissociation dynamics

Madhusudan Roy; Kuk Ki Kim; Md Alauddin; Jae Kyu Song; Seung Min Park

doi:10.1016/j.ijms.2015.01.013

Vibrational predissociation of aniline(pyrrole)(water)₂⁺ and aniline(pyrrole)(water)₃⁺: Structures and dissociation dynamics

Madhusudan Roy
, Kuk Ki Kim
, Md Alauddin
, Jae Kyu Song
, Seung Min Park

Research output: Contribution to journal › Article › peer-review

2 Citations (Scopus)

Abstract

Vibrational predissociation spectra of aniline(pyrrole)(water)₂⁺ and aniline(pyrrole)(water)₃⁺ clusters were taken at 2700-4000 cm^-1 to verify their most stable structures. One NH of aniline was bonded to the π electron of pyrrole while the other NH was bonded to water. Pyrrole molecule was arranged in such a way that NH of pyrrole formed another hydrogen bond with a water molecule nearby. Water molecule was more easily ejected than pyrrole for both AnPyW₂⁺ and AnPyW₃⁺ although pyrrole had smaller binding energy than water.

Original language	English
Pages (from-to)	151-156
Number of pages	6
Journal	International Journal of Mass Spectrometry
Volume	379
DOIs	https://doi.org/10.1016/j.ijms.2015.01.013
Publication status	Published - 15 Mar 2015

Bibliographical note

Publisher Copyright:
© 2015 Elsevier B.V.

Keywords

Cluster ions
Infrared spectroscopy
Vibrational predissociation

Access to Document

10.1016/j.ijms.2015.01.013

Cite this

@article{57e38a117162437f954393120c829d32,

title = "Vibrational predissociation of aniline(pyrrole)(water)2+ and aniline(pyrrole)(water)3+: Structures and dissociation dynamics",

abstract = "Vibrational predissociation spectra of aniline(pyrrole)(water)2+ and aniline(pyrrole)(water)3+ clusters were taken at 2700-4000 cm-1 to verify their most stable structures. One NH of aniline was bonded to the π electron of pyrrole while the other NH was bonded to water. Pyrrole molecule was arranged in such a way that NH of pyrrole formed another hydrogen bond with a water molecule nearby. Water molecule was more easily ejected than pyrrole for both AnPyW2+ and AnPyW3+ although pyrrole had smaller binding energy than water.",

keywords = "Cluster ions, Infrared spectroscopy, Vibrational predissociation",

author = "Madhusudan Roy and Kim, \{Kuk Ki\} and Md Alauddin and Song, \{Jae Kyu\} and Park, \{Seung Min\}",

note = "Publisher Copyright: {\textcopyright} 2015 Elsevier B.V.",

year = "2015",

month = mar,

day = "15",

doi = "10.1016/j.ijms.2015.01.013",

language = "English",

volume = "379",

pages = "151--156",

journal = "International Journal of Mass Spectrometry",

issn = "1387-3806",

publisher = "Elsevier BV",

}

TY - JOUR

T1 - Vibrational predissociation of aniline(pyrrole)(water)2+ and aniline(pyrrole)(water)3+

T2 - Structures and dissociation dynamics

AU - Roy, Madhusudan

AU - Kim, Kuk Ki

AU - Alauddin, Md

AU - Song, Jae Kyu

AU - Park, Seung Min

PY - 2015/3/15

Y1 - 2015/3/15

N2 - Vibrational predissociation spectra of aniline(pyrrole)(water)2+ and aniline(pyrrole)(water)3+ clusters were taken at 2700-4000 cm-1 to verify their most stable structures. One NH of aniline was bonded to the π electron of pyrrole while the other NH was bonded to water. Pyrrole molecule was arranged in such a way that NH of pyrrole formed another hydrogen bond with a water molecule nearby. Water molecule was more easily ejected than pyrrole for both AnPyW2+ and AnPyW3+ although pyrrole had smaller binding energy than water.

AB - Vibrational predissociation spectra of aniline(pyrrole)(water)2+ and aniline(pyrrole)(water)3+ clusters were taken at 2700-4000 cm-1 to verify their most stable structures. One NH of aniline was bonded to the π electron of pyrrole while the other NH was bonded to water. Pyrrole molecule was arranged in such a way that NH of pyrrole formed another hydrogen bond with a water molecule nearby. Water molecule was more easily ejected than pyrrole for both AnPyW2+ and AnPyW3+ although pyrrole had smaller binding energy than water.

KW - Cluster ions

KW - Infrared spectroscopy

KW - Vibrational predissociation

UR - https://www.scopus.com/pages/publications/84939945390

U2 - 10.1016/j.ijms.2015.01.013

DO - 10.1016/j.ijms.2015.01.013

M3 - Article

AN - SCOPUS:84939945390

SN - 1387-3806

VL - 379

SP - 151

EP - 156

JO - International Journal of Mass Spectrometry

JF - International Journal of Mass Spectrometry

ER -