Literature DB >> 21461423

Unravelling phenomenon of internal rotation in B13+ through chemical bonding analysis.

Gerardo Martínez-Guajardo1, Alina P Sergeeva, Alexander I Boldyrev, Thomas Heine, Jesus M Ugalde, Gabriel Merino.   

Abstract

We describe and explain the fluxionality of B(13)(+). The chemical bonding analysis shows that the inner triangle of B(13)(+) is bound to the peripheral ring by delocalized bonds only, allowing a quasi-free rotation of the inner ring. This journal is © The Royal Society of Chemistry 2011

Entities:  

Year:  2011        PMID: 21461423     DOI: 10.1039/c1cc10821b

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN: 1359-7345            Impact factor:   6.222


  6 in total

1.  First report of a planar and a quasi-planar Al13+ cluster having localized antiaromatic deltas within an aromatic sea: NICS, ELF, AIM, and AdNDP bonding analysis.

Authors:  Surajit Guin; Sourav Ranjan Ghosh; Atish Dipankar Jana
Journal:  J Mol Model       Date:  2018-11-24       Impact factor: 1.810

2.  Dynamical behavior of Borospherene: A Nanobubble.

Authors:  Gerardo Martínez-Guajardo; José Luis Cabellos; Andres Díaz-Celaya; Sudip Pan; Rafael Islas; Pratim K Chattaraj; Thomas Heine; Gabriel Merino
Journal:  Sci Rep       Date:  2015-06-22       Impact factor: 4.379

3.  Probing the structure and electronic properties of beryllium doped boron clusters: A planar BeB16- cluster motif for metallo-borophene.

Authors:  Dongliang Kang; Weiguo Sun; Hongxiao Shi; Cheng Lu; Xiaoyu Kuang; Bole Chen; Xinxin Xia; George Maroulis
Journal:  Sci Rep       Date:  2019-10-07       Impact factor: 4.379

4.  Vibrational band-structures caused by internal rotations of the boron Wankel rotor B11.

Authors:  Yonghong Xu; Huihui Wang; Yonggang Yang; Changyong Li; Liantuan Xiao; Suotang Jia
Journal:  RSC Adv       Date:  2021-01-19       Impact factor: 3.361

5.  Starting a subnanoscale tank tread: dynamic fluxionality of boron-based B10Ca alloy cluster.

Authors:  Ying-Jin Wang; Lin-Yan Feng; Hua-Jin Zhai
Journal:  Nanoscale Adv       Date:  2018-11-07

6.  Theoretical Prediction of Structures, Vibrational Circular Dichroism, and Infrared Spectra of Chiral Be4B8 Cluster at Different Temperatures.

Authors:  Carlos Emiliano Buelna-García; Eduardo Robles-Chaparro; Tristan Parra-Arellano; Jesus Manuel Quiroz-Castillo; Teresa Del-Castillo-Castro; Gerardo Martínez-Guajardo; Cesar Castillo-Quevedo; Aned de-León-Flores; Gilberto Anzueto-Sánchez; Martha Fabiola Martin-Del-Campo-Solis; Ana Maria Mendoza-Wilson; Alejandro Vásquez-Espinal; Jose Luis Cabellos
Journal:  Molecules       Date:  2021-06-28       Impact factor: 4.411

  6 in total

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