Room Temperature Gibbs Energies of Hydrogen-Bonded Alcohol Dimethylselenide Complexes

2019 ◽  
Vol 123 (39) ◽  
pp. 8427-8434 ◽  
Author(s):  
Alexander Kjaersgaard ◽  
Joseph R. Lane ◽  
Henrik G. Kjaergaard
Keyword(s):  
Room Temperature ◽  
Gibbs Energies ◽  
Hydrogen Bonded

A Rod-Packing Microporous Hydrogen-Bonded Organic Framework for Highly Selective Separation of C2H2/CO2at Room Temperature

2014 ◽  
Vol 127 (2) ◽  
pp. 584-587 ◽  
Author(s):  
Peng Li ◽  
Yabing He ◽  
Yunfeng Zhao ◽  
Linhong Weng ◽  
Hailong Wang ◽  
...  
Keyword(s):  
Room Temperature ◽  
Selective Separation ◽  
Organic Framework ◽  
Hydrogen Bonded

Lifetime-tunable room-temperature phosphorescence of polyaniline carbon dots in adjustable polymer matrices

Nanoscale ◽  
2019 ◽  
Vol 11 (39) ◽  
pp. 18311-18319 ◽  
Author(s):  
Huilin Gou ◽  
Yanfeng Liu ◽  
Guiyang Zhang ◽  
Qiaobo Liao ◽  
Xin Huang ◽  
...  
Keyword(s):  
Carbon Dots ◽  
Room Temperature ◽  
Data Encryption ◽  
Polymer Matrices ◽  
Room Temperature Phosphorescence ◽  
Time Resolved ◽  
Hydrogen Bonded

A series of room-temperature composites were synthesized by embedding polyaniline carbon dots in hydrogen-bonded polymer matrices. Adjustable RTP lifetime are realized, enabling time-resolved anti-counterfeit and data encryption patterns.

The synthesis and solubility of the copper hydroxyl nitrates: gerhardtite, rouaite and likasite

2010 ◽  
Vol 74 (3) ◽  
pp. 433-440 ◽  
Author(s):  
C. H. Yoder ◽  
E. Bushong ◽  
X. Liu ◽  
V. Weidner ◽  
P. McWilliams ◽  
...  
Keyword(s):  
Powder Diffraction ◽  
Room Temperature ◽  
Solubility Product ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Cell Parameters ◽  
Gibbs Energies ◽  
Solubility Products ◽  
Low Rate ◽  
Stable Polymorph

AbstractSyntheses for the three members of the copper hydroxyl nitrate family – the polymorphs rouaite and gerhardtite, and likasite – are presented along with powder diffraction data and unit-cell parameters. The solubilities, determined in 0.05 M KNO3solution after equilibration at 25°C for 10 days were used to calculate activity-based solubility product constants. The Gibbs energies of formation, obtained from the solubility products, are –653.2±0.7 kJ/mol, –655.1±1.2 kJ/mol and –1506.4±1.1 kJ/mol, for rouaite, gerhardtite, and likasite (Cu3NO3(OH)5·2H2O), respectively. The values for the polymorphs rouaite and gerhardtite validate the observations of Oswald that gerhardtite is the most stable polymorph at room temperature and that the preparation of predominantly rouaite in syntheses carried out at room temperature must be due to the metastability and low rate of conversion to the more stable gerhardtite.

scholarly journals All-Nitrogen Cages and Molecular Crystals: Topological Rules, Stability, and Pyrolysis Paths

Computation ◽  
2020 ◽  
Vol 8 (4) ◽  
pp. 91
Author(s):  
Konstantin P. Katin ◽  
Valeriy B. Merinov ◽  
Alexey I. Kochaev ◽  
Savas Kaya ◽  
Mikhail M. Maslov
Keyword(s):  
Room Temperature ◽  
Molecular Crystals ◽  
High Energy ◽  
Binding Energies ◽  
Ab Initio Molecular Dynamics ◽  
Quantum Mechanical ◽  
Intrinsic Reaction Coordinate ◽  
Activation Barriers ◽  
Gibbs Energies ◽  
The Stability

We combined ab initio molecular dynamics with the intrinsic reaction coordinate in order to investigate the mechanisms of stability and pyrolysis of N4 ÷ N120 fullerene-like nitrogen cages. The stability of the cages was evaluated in terms of the activation barriers and the activation Gibbs energies of their thermal-induced breaking. We found that binding energies, bond lengths, and quantum-mechanical descriptors failed to predict the stability of the cages. However, we derived a simple topological rule that adjacent hexagons on the cage surface resulted in its instability. For this reason, the number of stable nitrogen cages is significantly restricted in comparison with their carbon counterparts. As a rule, smaller clusters are more stable, whereas the earlier proposed large cages collapse at room temperature. The most stable all-nitrogen cages are the N4 and N6 clusters, which can form the van der Waals crystals with densities of 1.23 and 1.36 g/cm3, respectively. The examination of their band structures and densities of electronic states shows that they are both insulators. Their power and sensitivity are not inferior to the modern advanced high-energy nanosystems.

Two Hydroxo Bridged Dinuclear Lanthanide Phen Complexes: [Ln2(phen)4(H2O)4(OH)2](phen)2(NO3)4 with Ln = Tm, Yb

2002 ◽  
Vol 57 (6) ◽  
pp. 625-630 ◽  
Author(s):  
Dan-Yi Wei ◽  
Yue-Qing Zheng ◽  
Jian-Li Lin
Keyword(s):  
Magnetic Moment ◽  
Room Temperature ◽  
Complex Cation ◽  
Magnetic Ordering ◽  
Oh Groups ◽  
Π Stacking ◽  
Lanthanide Atoms ◽  
Phenanthroline Monohydrate ◽  
Experimental Magnetic Moment ◽  
Hydrogen Bonded

AbstractTwo isostructural hydroxo bridged dinuclear lanthanide phen complexes of general composition [Ln2(phen)4(H2O)4(OH)2](phen)2(NO3)4 with Ln = Tm (1), Yb (2) were prepared by reactions of the corresponding lanthanide nitrate and phenanthroline monohydrate in CH3OH/H2O at pH = 5.5. They crystallize in the triclinic space group P1̄ (no. 2) with the cell dimensions: a = 11.233(1), b = 11.456(1), c = 14.011(2) Å , α = 93.91(1)°, β = 98.20(1)°, γ = 108.21(1)°, V = 1683.0(3)Å3, Z = 1 for 1 and a = 11.236(1), b = 11.480(2), c = 13.986(2)Å , α = 93.91(1)°, β = 98.17(1)°, γ = 108.33(1)°, V = 1682.9(3) Å3, Z = 1 for 2. The crystal structures are composed of the hydroxo bridged dinuclear [Ln2(phen)4(H2O)4(OH)4]4+ complex cations, hydrogen bonded NO3- anions and π-π stacking (phen)2 dimers. The lanthanide atoms are each surrounded by two phen ligands, two H2O molecules and two μ-OH groups to complete a tetragonal antiprismatic LnN4O4 coordination. Via two common μ-OH groups, two neighboring tetragonal antiprisms are condensed to form a centrosymmetric dinuclear [Ln2(phen)4(H2O)4(OH)4]4+ complex cation. The complex cations and (phen)2 dimers are assembled via π-π stacking interactions and hydrogen bondings into 2D layers parallel to (101̄), between which the hydrogen bonded NO3- anions are sandwiched. The Tm compound shows paramagnetic behavior with an experimental magnetic moment of 7.51 μB at room temperature. No magnetic ordering is evident down to 5 K. Over the temperature range 70 - 300 K, the Yb compound obeys the Curie-Weiss law with an experimental magnetic moment of 4.32 μB at room temperature and shows weak ferrimagnetic behavior at low temperature.

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