Nitriles as Directionally Tolerant Hydrogen Bond Acceptors: IR-UV ion Depletion Spectroscopy of Benzenepropanenitrile and its Hydrate Clusters
| avondale-bepress.context-key | 9758887 | |
| avondale-bepress.submission-path | sci_math_papers/86 | |
| avondale.faculty | Science | |
| avondale.reporting.isPeerReviewed | Peer Reviewed | |
| avondale.reporting.version | Published Version | |
| dc.contributor.author | Robertson, Evan G. | |
| dc.contributor.author | Wilson, David J. | |
| dc.contributor.author | Lobo, Isabella A. | |
| dc.contributor.author | Robertson, Patrick A. | |
| dc.date.accessioned | 2023-11-01T00:24:42Z | |
| dc.date.available | 2023-11-01T00:24:42Z | |
| dc.date.issued | 2016-09-01 | |
| dc.date.submitted | 2017-02-27T19:11:56Z | |
| dc.description.abstract | <p>Benzenepropanenitrile (BPN) and its hydrate clusters are studied by R2PI and IR-UV ion-depletion spectroscopy in the CH/OH stretch regions, aided by theoretical calculations. A single water molecule binds to the terminal nitrile ‘lone-pair’ of the <em>anti</em>-BPN host, but there is also evidence for a side-type structure with OH donating to the nitrile π-electrons. In the <em>gauche</em>-BPN cluster, water is located at an intermediate angle that facilitates O⋯HC(ortho) interaction. A wide range of attachment angles is possible, as the intrinsic preference for linear hydrogen bonding is mediated by additional CH⋯O interactions that depend on molecular geometry near the nitrile group.</p> | |
| dc.identifier.citation | <p>Robertson, P. A., Lobo, I. A., Wilson, D. J. & Robertson, E. G. (2016) Nitriles as directionally tolerant hydrogen bond acceptors: IR-UV ion depletion spectroscopy of benzenepropanenitrile and its hydrate clusters. <em>Chemical Physics Letters, 660</em>, 221-227. doi: 10.1016/j.cplett.2016.08.029</p> | |
| dc.identifier.doi | https://doi.org/10.1016/j.cplett.2016.08.029 | |
| dc.identifier.issn | 0009-2614 | |
| dc.identifier.uri | https://research.avondale.edu.au/handle/1897/09758887 | |
| dc.language.iso | en_us | |
| dc.provenance | <p>This article was originally published as:</p> <p>Robertson, P. A., Lobo, I. A., Wilson, D. J. & Robertson, E. G. (2016) Nitriles as directionally tolerant hydrogen bond acceptors: IR-UV ion depletion spectroscopy of benzenepropanenitrile and its hydrate clusters. <em>Chemical Physics Letters, 660</em>, 221-227. doi: 10.1016/j.cplett.2016.08.029</p> <p>ISSN: 0009-2614</p> | |
| dc.relation.ispartof | Chemical Physics Letters | |
| dc.rights | <p>Due to copyright restrictions this article is unavailable for download.</p> <p>Copyright © 2016 Elsevier B.V. All rights reserved.</p> <p>Staff and Students of Avondale College may access the full text of this article via a Library PRIMO search <a href="https://avondale-primo.hosted.exlibrisgroup.com/primo-explore/search?vid=AVN&lang=en_US">here</a>.</p> | |
| dc.subject | Benzenepropanenitrile; IR-UV laser spectroscopy; Water clusters; Hydrogen bonding; Nitriles | |
| dc.title | Nitriles as Directionally Tolerant Hydrogen Bond Acceptors: IR-UV ion Depletion Spectroscopy of Benzenepropanenitrile and its Hydrate Clusters | |
| dc.type | Journal Article |