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Isomer-selective vibrational spectroscopy of jet-cooled phenol-acetylene aggregates

Journal of Physical Chemistry A, ISSN: 1089-5639, Vol: 117, Issue: 15, Page: 3214-3220
2013
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Article Description

The structures of the phenol (Ph)-acetylene (A) clusters PhA and PhA are assigned on the basis of isomer and mass specific IR-UV double resonance spectroscopy and compared to the structure of the PhA cocrystal. The structures of the PhA clusters are dominated by phenol-acetylene π-hydrogen bonds whereas Ph A binds via OH⋯OH⋯C≡C interaction with dominating Ph-Ph hydrogen bond like in the phenol dimer and acetylene attached to the free OH group of the proton acceptor phenol. The macroscopic crystal is a clathrate of phenol with acetylene with hydrogen bridges only between the phenol molecules and not between phenol and acetylene.(1) A possible aggregation pathway is proposed in which larger phenol clusters like Ph are cyclic with no free OH available anymore to which acetylene could attach as proton acceptor. © 2013 American Chemical Society.

Bibliographic Details

Böning, Markus; Stuhlmann, Benjamin; Engler, Gernot; Kleinermanns, Karl

American Chemical Society (ACS)

Chemistry

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