Carbon complexes in highly C-doped GaN

Autor: Tomasz Sochacki, M. Iwinska, John L. Lyons, Michal Bockowski, Mary Ellen Zvanut, Subash Paudel, Evan R. Glaser

Publikováno v: Physical Review B. 104

We investigate the properties of heavily C-doped GaN grown by hydride vapor phase epitaxy using both optical experiments and hybrid density functional theory calculations. Previous work has established that carbon acceptors $({\mathrm{C}}_{\mathrm{N}

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a69dac266ebc2c22d710d29522c566df
https://doi.org/10.1103/physrevb.104.075201

First-principles investigations of tricarbon: From the isolated C3 molecule to a novel ultra-hard anisotropic solid

Autor: Jean Etourneau, Vladimir L. Solozhenko, Samir F. Matar

Publikováno v: Carbon Trends, Vol 6, Iss, Pp 100132-(2022)
Carbon Trends
Carbon Trends, Elsevier, 2022, 6, pp.100132. ⟨10.1016/j.cartre.2021.100132⟩

International audience; The purpose of this paper is to predict the existence of novel 3D covalent ultra-hard carbon allotropes in view of synthesizing them eventually. Stability and spectroscopic characteristics of the rarely occurring tricarbon lin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::87ea113d671393e782cdd8fe930028db
https://doi.org/10.1016/j.cartre.2021.100132

Crystal structure of bromido-fac-tricarbonyl[5-(3,4,5-trimethoxyphenyl)-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2N2,N3]rhenium(I) methanol monosolvate

Autor: Kostiantyn V. Domasevitch, Marharyta I. Kharlova, A. V. Shtemenko, Kseniia O. Piletska

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications, Vol 73, Iss 4, Pp 484-487 (2017)
Acta Crystallographica Section E: Crystallographic Communications

The ReI atom in the title methanol solvate is coordinated octa­hedrally by two N atoms of the chelating organic ligand, one Br atom and three facially configured carbonyl ligands. Hydrogen bonds between the complex and methanol solvent mol­ecules l

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3ce85306d0e5810db64bef46cb0e5e9a
https://doi.org/10.1107/s2056989017003371

Crystal structure of a second polymorph of tricarbonyl(N-methylpyridine-2-carboxamide-κ2N1,O)(thiocyanato-κN)rhenium(I)

Autor: Krzysztof Lyczko

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications, Vol 72, Iss 10, Pp 1386-1389 (2016)
Acta Crystallographica Section E: Crystallographic Communications

The second polymorph (monoclinic form) of the [Re(NCS){LH(Me) NO}(CO)3] complex, where LH(Me) NO is N-methyl­pyridine-2-carboxamide, has been obtained and structurally characterized by X-ray diffraction and supported by DFT calculations.
A new

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a12f724eb2ffe72442ff252fbc7e10fd
https://doi.org/10.1107/s205698901601389x

Crystal structure of fac-tricarbonyl(cyclohexyl isocyanide-κC)(quinoline-2-carboxylato-κ2N,O)rhenium(I)

Autor: Minas Papadopoulos, Vassilis Psycharis, Antonio Shegani, Catherine P. Raptopoulou, Maria Pelecanou, Christos Kiritsis, Charalampos Triantis, Ioannis Pirmettis

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications, Vol 72, Iss 3, Pp 358-362 (2016)
Acta Crystallographica Section E: Crystallographic Communications

The ReI atom in the mol­ecule of the title compound has a distorted C4NO coordination sphere defined by three carbonyl ligands, one chelating quinaldate anion and one isocyanide ligand. As a result of the trans effect of the isocyanide derivative, o

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7c7e7d171ce27c2a9eee82e2c4e9ff24
http://scripts.iucr.org/cgi-bin/paper?S2056989016002206