QTAIM Assessment of the Intra- and Intermolecular Bonding in a Bis(nitramido–oxadiazolate) Energetic Ionic Salt at 20 K

2018 ◽  
Vol 122 (50) ◽  
pp. 9676-9687 ◽  
Author(s):  
Jeremiah P. Tidey ◽  
Vladimir V. Zhurov ◽  
Christopher G. Gianopoulos ◽  
Tobias S. Hermann ◽  
A. Alan Pinkerton
Keyword(s):  
Ionic Salt ◽  
Intermolecular Bonding

scholarly journals Osmotic Stress or Ionic Composition: Which Affects the Early Growth of Crop Species More?

Agronomy ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 435
Author(s):  
Agnieszka Ludwiczak ◽  
Monika Osiak ◽  
Stefany Cárdenas-Pérez ◽  
Sandra Lubińska-Mielińska ◽  
Agnieszka Piernik
Keyword(s):  
Osmotic Stress ◽  
Stress Responses ◽  
Ionic Composition ◽  
Degradation Process ◽  
Early Growth ◽  
Cultivated Plants ◽  
C3 Plants ◽  
Growth Stages ◽  
Crop Species ◽  
Ionic Salt

Salinization is a key soil degradation process. An estimated 20% of total cultivated lands and 33% of irrigated agricultural lands worldwide are affected by high salinity. Much research has investigated the influence of salt (mainly NaCl) on plants, but very little is known about how this is related to natural salinity and osmotic stress. Therefore, our study was conducted to determine the osmotic and ionic salt stress responses of selected C3 and C4 cultivated plants. We focused on the early growth stages as those critical for plant development. We applied natural brine to simulate natural salinity and to compare its effect to NaCl solution. We assessed traits related to germination ability, seedlings and plantlet morphology, growth indexes, and biomass and water accumulation. Our results demonstrate that the effects of salinity on growth are strongest among plantlets. Salinity most affected water absorption in C3 plants (28% of total traits variation), but plant length in C4 plants (17–27%). Compensatory effect of ions from brine were suggested by the higher model plants’ growth success of ca 5–7% under brine compared to the NaCl condition. However, trait differences indicated that osmotic stress was the main stress factor affecting the studied plants.

scholarly journals Regulation of kinase and intermolecular bonding in intact and truncated epidermal growth factor receptor.

1986 ◽  
Vol 261 (27) ◽  
pp. 12879-12882
Author(s):  
M Basu ◽  
A Sen-Majumdar ◽  
A Basu ◽  
U Murthy ◽  
M Das
Keyword(s):  
Epidermal Growth Factor Receptor ◽  
Growth Factor ◽  
Epidermal Growth Factor ◽  
Growth Factor Receptor ◽  
Epidermal Growth ◽  
Intermolecular Bonding

scholarly journals Dual effect of coumarin benzimidazolium ionic salt covalently bonded on a silica network

2015 ◽  
Vol 39 ◽  
pp. 25-33
Author(s):  
Ahmet GÜLTEK ◽  
Davut AKSÜT ◽  
Turgay SEÇKİN ◽  
Emre BİRHANLI ◽  
Mert Olgun KARATAŞ ◽  
...  
Keyword(s):  
Silica Network ◽  
Dual Effect ◽  
Ionic Salt ◽  
Covalently Bonded

Characterization and Studies of Designed Photodefinable CoPoly(amic Acid) Ionic Salt Solutions

2004 ◽  
Vol 9 (1-3) ◽  
pp. 177-196 ◽  
Author(s):  
Rohitkumar H. Vora ◽  
P. Santhana Gopala Krishnan ◽  
S. Veeramani
Keyword(s):  
Amic Acid ◽  
Salt Solutions ◽  
Ionic Salt

scholarly journals Remediation of 137Cs contaminated concrete using electrokinetic phenomena and ionic salt washes in nuclear energy contexts

2017 ◽  
Vol 340 ◽  
pp. 454-462 ◽  
Author(s):  
Andrew J. Parker ◽  
Malcolm J. Joyce ◽  
Colin Boxall
Keyword(s):  
Nuclear Energy ◽  
Electrokinetic Phenomena ◽  
Ionic Salt

Crystal structures of highly stabilized ylides: methyl(3-methoxy,2-methoxycarbonylbenzoyl) triphenyl- phosphoranylideneacetate and methyl(2-methoxycarb-6-nitrobenzoyl)triphenyl phos phoranyl ideneacetate and the salt methyl(triphenylphosphoranylidene)acetate tetrafluoroborate

1998 ◽  
Vol 76 (12) ◽  
pp. 1844-1852
Author(s):  
Fernande D Rochon ◽  
Robert Melanson ◽  
Margaret M Kayser
Keyword(s):  
Key Words ◽  
Crystal Structures ◽  
Nitro Derivative ◽  
Transient Species ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ionic Salt ◽  
Higher Temperature ◽  
Cyclic Anhydrides ◽  
Wittig Reactions

At lower temperatures stabilized ylides react with unsymmetrically substituted phthalic anhydrides to give two acyclic adducts. When the reactions are allowed to proceed at higher temperature enol lactones are formed. Identification of the acyclic intermediates was necessary to understand the mechanism of these Wittig reactions. The transient species trapped in the reaction with trimethyloxonium tetrafluoroborate were unambiguously identified by crystallographic methods. The crystal structures of the tetrafluoroborate salt of methyl(triphenylphosphoranyl idene)- acetate (8), methyl(3-methoxy,2-methoxycarbonylbenzoyl)triphenylphosphoranylideneacetate (6β), and methyl(2-methoxycarbonyl,6-nitrobenzoyl)triphenylphosphoranylideneacetate (7α) were studied by X-ray diffraction. The ionic salt (8) is monoclinic, P21c,a= 12.640(5), b = 13.945(9), c = 14.825(6) Å, β = 125.32(3)°, Z = 4, and R = 0.065 (F >5.4 σ(F)). Crystal 6 β is monoclinic, P21c,a = 16.391(16), b = 9.029(6), c = 19.835(19) Å, β = 116.60(6)°, Z = 4, and R = 0.070 (F > 4.6 σ(F)), while crystal 7α is also monoclinic, P21c,a = 9.513(5), b = 9.361(3), c = 30.908(13) Å, β = 98.42(3)°, Z = 4, and R = 0.057 (F >5 σ(F)). In the BF 4- salt (12), the four P-C distances are equal (1.791(5)-1.801(7) Å) with identical tetrahedral angles. For the two triphenylphosphoranylideneacetate compounds, the fourth P-C(1) bond is shorter (1.762(6)-1.734(5) Å) than the three P-C(Ph) bonds (avg. 1.809(5) Å). The angles C(1)-P-C(Ph) are also larger (avg. 112.9(2)° for 6β and 111.9(2)° for 7α) than the C(Ph)-P-C(Ph) angles (avg. 105.8(2)° for 6 β and 106.9(2)° for 7α). These values suggest a multiple nature for the P-C(1) bond. In the nitro derivative, the nitro and the ester groups are disordered equally in positions 2 and 6. Key words: Wittig reactions, cyclic anhydrides, stabilized ylide, phosphoranylidenes, crystal structures.

Impedance and Photosensitivity Spectra of Nanocomposite Structures Based on Layered Semiconductor InSe and Ionic Salt RbNO3

2018 ◽  
Vol 215 (24) ◽  
pp. 1800460
Author(s):  
Anatoliy P. Bakhtinov ◽  
Volodymyr M. Vodopyanov ◽  
Volodymyr I. Ivanov ◽  
Ivan G. Tkachuk ◽  
Viktor V. Netyaga ◽  
...  
Keyword(s):  
Layered Semiconductor ◽  
Ionic Salt ◽  
Nanocomposite Structures

scholarly journals Strontium and 87Sr/86Sr isotopic ratio of ground brines in the northeastern Angara-Lena artesian basin

2021 ◽  
Vol 44 (2) ◽  
pp. 98-105
Author(s):  
L. P. Alekseeva ◽  
S. V. Alekseev
Keyword(s):  
Isotopic Composition ◽  
High Salinity ◽  
Isotopic Ratio ◽  
Sedimentary Basins ◽  
Formation Processes ◽  
Salt Composition ◽  
Strontium Content ◽  
Mass Spectrometers ◽  
Ionic Salt

The purpose of this study is to identify the major formation processes of the ionic and isotopic composition of chloride brines in the sedimentary basins of the Siberian platform. The object and subject of research are deep-seated strong, very strong and extremely saturated brines as well as their strontium content and the ratio of Sr stable isotopes. The groundwater ionic-salt composition was determined by traditional methods (titrimetric, gravimetric, flame photometry), the 87Sr/86Sr isotopic ratio was measured using mass-spectrometers (Irkutsk, Russia and Canada). The brines lying at the depth of 1500–3000 m were tapped and classified into saline and subsalt hydrogeological formations. Their feature is high salinity (385–530 g/L) and high content of strontium (2.3–7 g/L). The 87Sr/86Sr isotopic ratio ranges from 0.708 to 0.713062. By isotopic composition most of the brine samples are close to the waters of the Vendian-Cambrian paleoocean. However, some brine samples from the subsalt part of the sedimentary section of the basin are significantly enriched in the isotope 87Sr compared to the paleoocean waters and other samples. It could be due to the substantial input of 87Sr into the brines during the long-term interaction of groundwater with the host Lower Cambrian sandstones.

Wide electrochemical window ionic salt for use in electropositive metal electrodeposition and solid state Li-ion batteries

2014 ◽  
Vol 2 (7) ◽  
pp. 2194-2201 ◽  
Author(s):  
Sankaran Murugesan ◽  
Oliver A. Quintero ◽  
Brendan P. Chou ◽  
Penghao Xiao ◽  
Kyusung Park ◽  
...  
Keyword(s):  
Solid State ◽  
Crystalline Solid ◽  
Li Ion Batteries ◽  
Ionic Salt ◽  
Metal Electrodeposition ◽  
Electrochemical Window ◽  
Li Ion

A stable hydrophobic ionic crystalline solid comprised of the N-propyl-N-methylpiperidinium cation and hexafluorophosphate anion PP13PF6 exhibits a remarkably wide electrochemical window of 7.2 V.

scholarly journals Halogen bonding in iron(II) and cobalt(II) tris(dichloroglyoximates)

2014 ◽  
Vol 70 (a1) ◽  
pp. C679-C679
Author(s):  
Anna Vologzhanina ◽  
Konstantin Lyssenko
Keyword(s):  
Intermolecular Interactions ◽  
Chlorine Atom ◽  
Russian Federation ◽  
Weak Interactions ◽  
Visual Representation ◽  
Voronoi Tessellation ◽  
Halogen Bonding ◽  
Intermolecular Contacts ◽  
The Russian Federation ◽  
Intermolecular Bonding

The understanding of the interplay between intermolecular strong and weak interactions requires approaches that are able to identify and quantify all of them, and are applicable to as large number of objects as possible. The QTAIM approach [1] nicely meets the first criteria. Less rigorous approaches, such as the Stockholder [2] and the Voronoi [3] partitioning have the second advantage. The latter can also give qualitative, quantitative and visual representation of intermolecular interactions. We compared how all these approaches would perform for two polymorphs of Fe(Cl2Gm)3(BCH3)2 (monoclinic C (1a), and less stable monoclinic P (1b)) and Co(Cl2Gm)3(BCH3)2 (2) isostructural with 1b (Cl2Gm = dichloroglyoximate). The Voronoi and Stockholder partitionings showed that three fourths of molecular surfaces were attributed to Cl...X (X = Cl, O, N) and C-H...Cl bonds. According to the QTAIM theory, each chlorine atom takes part in at least four intermolecular contacts. The Voronoi tessellation was found to be valid for determinating of the graph of intermolecular bonding. Indeed, in the isostructural 1b and 2 the sets of weak interactions do not coincide due to various conformations of iron- and cobalt-containing clathrochelate cages. Nevertheless, the resulting graph of intermolecular bonding (the gpu-x net) is the same. Qualitative (for all three approaches) and quantitative (for two partitionings) correlation for various methods was demonstrated. This study was supported by the Council of the President of the Russian Federation (MK-5181.2013.3 and MD- 3589.2014.3).

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