Cover Feature: Theoretical Insights into Bifurcated Intramolecular Dihydrogen Bonds (ChemPhysChem 4/2024)

The Cover Feature presents three conformers of (1Z,4Z)‐1,4‐dipentene‐3‐bora‐1,5‐diol corresponding to local energetic minima. The most energetically stable is the conformer with two intramolecular dihydrogen bonds, DHBs, that possess the same hydride Lewis base centre (bifurcated dihydrogen bond). T...

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Veröffentlicht in:Chemphyschem Jg. 25; H. 4
Hauptverfasser: Gholami, Samira, Aarabi, Mohammad, Grabowski, Sławomir J.
Format: Journal Article
Sprache:Englisch
Veröffentlicht: Weinheim Wiley Subscription Services, Inc 16.02.2024
Schlagworte:
Bifurcation theory
Lewis base
ISSN:1439-4235, 1439-7641
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Abstract The Cover Feature presents three conformers of (1Z,4Z)‐1,4‐dipentene‐3‐bora‐1,5‐diol corresponding to local energetic minima. The most energetically stable is the conformer with two intramolecular dihydrogen bonds, DHBs, that possess the same hydride Lewis base centre (bifurcated dihydrogen bond). The opening of one of the intramolecular dihydrogen bonded rings leads to the conformer of the higher energy with the single DHB. The conformer without DHBs is characterised by the highest energy. More information can be found in the Research Article by Samira Gholami, Mohammad Aarabi, and Sławomir J. Grabowski .
AbstractList The Cover Feature presents three conformers of (1Z,4Z)‐1,4‐dipentene‐3‐bora‐1,5‐diol corresponding to local energetic minima. The most energetically stable is the conformer with two intramolecular dihydrogen bonds, DHBs, that possess the same hydride Lewis base centre (bifurcated dihydrogen bond). The opening of one of the intramolecular dihydrogen bonded rings leads to the conformer of the higher energy with the single DHB. The conformer without DHBs is characterised by the highest energy. More information can be found in the Research Article by Samira Gholami, Mohammad Aarabi, and Sławomir J. Grabowski .
Author Aarabi, Mohammad
Grabowski, Sławomir J.
Gholami, Samira
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  givenname: Mohammad
  surname: Aarabi
  fullname: Aarabi, Mohammad
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  givenname: Sławomir J.
  orcidid: 0000-0003-4161-2938
  surname: Grabowski
  fullname: Grabowski, Sławomir J.
  email: slawomir_grabowski@ehu.es, s.grabowski@ikerbasque.org
  organization: Ikerbasque
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Snippet The Cover Feature presents three conformers of (1Z,4Z)‐1,4‐dipentene‐3‐bora‐1,5‐diol corresponding to local energetic minima. The most energetically stable is...
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SubjectTerms Bifurcation theory
Lewis base
Title Cover Feature: Theoretical Insights into Bifurcated Intramolecular Dihydrogen Bonds (ChemPhysChem 4/2024)
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