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      Vibrational predissociation of aniline(pyrrole)(water)<sub>2</sub> <sup>+</sup> and aniline(pyrrole)(water)<sub>3</sub> <sup>+</sup>: Structures and dissociation dynamics

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      https://www.riss.kr/link?id=A107537879

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      <P><B>Abstract</B></P> <P>Vibrational predissociation spectra of aniline(pyrrole)(water)<SUB>2</SUB> <SUP>+</SUP> and aniline(pyrrole)(water)<SUB>3</SUB> <SUP>+</SUP> clusters were taken at 2700–4000cm<SUP>−1</SUP> 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 AnPyW<SUB>2</SUB> <SUP>+</SUP> and AnPyW<SUB>3</SUB> <SUP>+</SUP> although pyrrole had smaller binding energy than water.</P> <P><B>Highlights</B></P> <P> <UL> <LI> IR predissociation spectra of aniline(pyrrole)(water)<SUB>2</SUB> <SUP>+</SUP> and aniline(pyrrole)(water)<SUB>3</SUB> <SUP>+</SUP> were obtained. </LI> <LI> The most stable cluster structures were suggested along with DFT calculations. </LI> <LI> Water molecule was dominantly ejected by IR absorption. </LI> </UL> </P>
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      <P><B>Abstract</B></P> <P>Vibrational predissociation spectra of aniline(pyrrole)(water)<SUB>2</SUB> <SUP>+</SUP> and aniline(pyrrole)(water)<SUB>3</SUB> <SUP>+</SUP> clust...

      <P><B>Abstract</B></P> <P>Vibrational predissociation spectra of aniline(pyrrole)(water)<SUB>2</SUB> <SUP>+</SUP> and aniline(pyrrole)(water)<SUB>3</SUB> <SUP>+</SUP> clusters were taken at 2700–4000cm<SUP>−1</SUP> 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 AnPyW<SUB>2</SUB> <SUP>+</SUP> and AnPyW<SUB>3</SUB> <SUP>+</SUP> although pyrrole had smaller binding energy than water.</P> <P><B>Highlights</B></P> <P> <UL> <LI> IR predissociation spectra of aniline(pyrrole)(water)<SUB>2</SUB> <SUP>+</SUP> and aniline(pyrrole)(water)<SUB>3</SUB> <SUP>+</SUP> were obtained. </LI> <LI> The most stable cluster structures were suggested along with DFT calculations. </LI> <LI> Water molecule was dominantly ejected by IR absorption. </LI> </UL> </P>

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