scholarly journals Inorganic Niobium and Tantalum Octahedral Cluster Halide Compounds with Three-Dimensional Frameworks: A Review on Their Crystallographic and Electronic Structures

2019 ◽  
pp. 143-190 ◽  
Author(s):  
Pierric Lemoine ◽  
Jean-François Halet ◽  
Stéphane Cordier
Keyword(s):  
Electronic Structures ◽  
Three Dimensional ◽  
Octahedral Cluster

scholarly journals Three-dimensional electronic structures and the metal-insulator transition in Ruddlesden-Popper iridates

2016 ◽  
Vol 94 (11) ◽  
Author(s):  
A. Yamasaki ◽  
H. Fujiwara ◽  
S. Tachibana ◽  
D. Iwasaki ◽  
Y. Higashino ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Three Dimensional ◽  
Insulator Transition ◽  
Metal Insulator Transition ◽  
Metal Insulator

Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions

2013 ◽  
Vol 69 (2) ◽  
pp. 162-171
Author(s):  
Lina M. Acosta ◽  
Andrés F. Yepes ◽  
Alirio Palma ◽  
Justo Cobo ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bonds ◽  
Electronic Structures ◽  
Three Dimensional ◽  
Pyrimidine Ring ◽  
Three Dimensions ◽  
Boat Conformation ◽  
A Chain ◽  
Dimeric Aggregates ◽  
Ring Conformations ◽  
Methyl Phenyl

In each of ethylN-{2-amino-5-formyl-6-[methyl(phenyl)amino]pyrimidin-4-yl}glycinate, C16H19N5O3, (I),N-{2-amino-5-formyl-6-[methyl(phenyl)amino]pyrimidin-4-yl}glycinamide, C14H16N6O2, (II), and ethyl 3-amino-N-{2-amino-5-formyl-6-[methyl(phenyl)amino]pyrimidin-4-yl}propionate, C17H21N5O3, (III), the pyrimidine ring is effectively planar, but in each of methylN-{2-amino-6-[benzyl(methyl)amino]-5-formylpyrimidin-4-yl}glycinate, C16H19N5O3, (IV), ethyl 3-amino-N-{2-amino-6-[benzyl(methyl)amino]-5-formylpyrimidin-4-yl}propionate, C18H23N5O3, (V), and ethyl 3-amino-N-[2-amino-5-formyl-6-(piperidin-4-yl)pyrimidin-4-yl]propionate, C15H23N5O3, (VI), the pyrimidine ring is folded into a boat conformation. The bond lengths in each of (I)–(VI) provide evidence for significant polarization of the electronic structure. The molecules of (I) are linked by paired N—H...N hydrogen bonds to form isolated dimeric aggregates, and those of (III) are linked by a combination of N—H...N and N—H...O hydrogen bonds into a chain of edge-fused rings. In the structure of (IV), molecules are linked into sheets by means of two hydrogen bonds, both of N—H...O type, in the structure of (V) by three hydrogen bonds, two of N—H...N type and one of C—H...O type, and in the structure of (VI) by four hydrogen bonds, all of N—H...O type. Molecules of (II) are linked into a three-dimensional framework structure by a combination of three N—H...O hydrogen bonds and one C—H...O hydrogen bond.

Symmetrically 4,6-disubstituted 2-aminopyrimidines and 2-amino-5-nitrosopyrimidines: interplay of molecular, molecular–electronic and supramolecular structures

2004 ◽  
Vol 60 (1) ◽  
pp. 76-89 ◽  
Author(s):  
Antonio Quesada ◽  
Antonio Marchal ◽  
Manuel Melguizo ◽  
John N. Low ◽  
Christopher Glidewell
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Electronic Structures ◽  
Three Dimensional ◽  
Supramolecular Structures ◽  
Nitroso Compounds ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Molecular Electronic ◽  
One Dimensional

The structures of six symmetrically 4,6-disubstituted 2-aminopyrimidines, four of them containing a 5-nitroso substituent, have been determined. The nitroso compounds, in particular, exhibit polarized molecular–electronic structures leading to extensive charge-assisted hydrogen bonding. The intermolecular interactions observed include hard hydrogen bonds of N—H...N and N—H...O types together with O—H...O and O—H...N types in 2-amino-4,6-bis(2-hydroxyethylamino)-5-nitrosopyrimidine; soft hydrogen bonds of the C—H...O type in both 2-amino-4,6-bis(morpholino)-5-nitrosopyrimidine (3) and 2-amino-4,6-bis(benzylamino)-5-nitrosopyrimidine (4), and of the C—H...π(arene) type in both 2-amino-4,6-bis(piperidino)pyrimidine (1) and 2-amino-5-nitroso-4,6-bis(3-pyridylmethoxy)pyrimidine (5); and aromatic π...π stacking interactions in 2-amino-5-nitroso-4,6-bis(3-pyridylmethoxy)pyrimidine. The supramolecular structures formed by the hard hydrogen bonds are finite, zero-dimensional in (1), one-dimensional in 2-amino-4,6-bis(3-pyridylmethoxy)pyrimidine (2), two-dimensional in both (3) and (4), and three-dimensional in both (5) and 2-amino-4,6-bis(2-hydroxyethylamino)-5-nitrosopyrimidine.

ChemInform Abstract: Crystal and Electronic Structures of ScAuGe, CeAuGe, and LuAuGe: a Transition from Two- to Three-Dimensional (AuGe) Polyanions.

ChemInform ◽  
2010 ◽  
Vol 27 (31) ◽  
pp. no-no
Author(s):  
R. POETTGEN ◽  
H. BORRMANN ◽  
C. FELSER ◽  
O. JEPSEN ◽  
R. HENN ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Three Dimensional
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