Literature DB >> 19229914

When do interacting atoms form a chemical bond? Spectroscopic measurements and theoretical analyses of dideuteriophenanthrene.

Stefan Grimme1, Christian Mück-Lichtenfeld, Gerhard Erker, Gerald Kehr, Huadong Wang, Helmut Beckers, Helge Willner.   

Abstract

Don't rewrite the textbooks! Vibrational spectra of a selectively deuterated derivative of phenanthrene indicate that the C4HHC5 interaction in its "bay" area should be interpreted as steric (Pauli) repulsion. These findings and the results of theoretical analysis are in conflict with interpretations that describe this interaction as strongly stabilizing.

Entities:  

Year:  2009        PMID: 19229914     DOI: 10.1002/anie.200805751

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN: 1433-7851            Impact factor:   15.336


  14 in total

1.  The importance of being bonded.

Authors:  Henry S Rzepa
Journal:  Nat Chem       Date:  2009-10       Impact factor: 24.427

2.  On bond-critical points in QTAIM and weak interactions.

Authors:  Christian R Wick; Timothy Clark
Journal:  J Mol Model       Date:  2018-05-31       Impact factor: 1.810

3.  Effects of the protonation state in the interaction of an HIV-1 reverse transcriptase (RT) amino acid, Lys101, and a non nucleoside RT inhibitor, GW420867X.

Authors:  Sérgio E Galembeck; F Matthias Bickelhaupt; Célia Fonseca Guerra; Eduardo Galembeck
Journal:  J Mol Model       Date:  2014-06-26       Impact factor: 1.810

4.  Overcoming lability of extremely long alkane carbon-carbon bonds through dispersion forces.

Authors:  Peter R Schreiner; Lesya V Chernish; Pavel A Gunchenko; Evgeniya Yu Tikhonchuk; Heike Hausmann; Michael Serafin; Sabine Schlecht; Jeremy E P Dahl; Robert M K Carlson; Andrey A Fokin
Journal:  Nature       Date:  2011-09-14       Impact factor: 49.962

5.  Discerning the thermal cyclotrimerizations of fluoro- and chloroacetylenes through ELF, NBO descriptors and QTAIM analysis: pseudodiradical character.

Authors:  Alejandro Morales-Bayuelo; Jesús Sánchez-Márquez
Journal:  Heliyon       Date:  2020-07-21

6.  Dihydrogen contacts observed by through-space indirect NMR coupling.

Authors:  Martin Dračínský; Michal Buchta; Miloš Buděšínský; Jana Vacek-Chocholoušová; Irena G Stará; Ivo Starý; Olga L Malkina
Journal:  Chem Sci       Date:  2018-08-13       Impact factor: 9.825

7.  Aromaticity Determines the Relative Stability of Kinked vs. Straight Topologies in Polycyclic Aromatic Hydrocarbons.

Authors:  Jordi Poater; Miquel Duran; Miquel Solà
Journal:  Front Chem       Date:  2018-11-20       Impact factor: 5.221

8.  Uncovering the Networks of Topological Neighborhoods in β-Strand and Amyloid β-Sheet Structures.

Authors:  Luhan Zhai; Yuko Otani; Tomohiko Ohwada
Journal:  Sci Rep       Date:  2019-07-24       Impact factor: 4.379

9.  Cospatial σ-Hole and Lone Pair Interactions of Square-Pyramidal Pentavalent Halogen Compounds with π-Systems: A Quantum Mechanical Study.

Authors:  Mahmoud A A Ibrahim; Ossama A M Ahmed; Sabry El-Taher; Jabir H Al-Fahemi; Nayra A M Moussa; Hussein Moustafa
Journal:  ACS Omega       Date:  2021-01-25

Review 10.  Bonding Analysis of Compounds with Unusual Coordination of Carbon: Proposed Symmetric Systems with Six-Coordinate Carbon.

Authors:  Carl Trindle; Zikri Altun; Erdi Ata Bleda
Journal:  Molecules       Date:  2020-08-28       Impact factor: 4.411

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