Hyperfine measurements in the X and B electronic states of I35,37Cl: Probing the ionic character of the chemical bond

1994 ◽  
Vol 101 (9) ◽  
pp. 7221-7229 ◽  
Author(s):  
Timothy J. Slotterback ◽  
Simon G. Clement ◽  
Kenneth C. Janda ◽  
Colin M. Western
Keyword(s):  
Chemical Bond ◽  
Electronic States ◽  
Ionic Character

Chemical bond and electronic states at theCaF2-Si(111) and Ca-Si(111) interfaces

1991 ◽  
Vol 43 (12) ◽  
pp. 9823-9830 ◽  
Author(s):  
Stefano Ossicini ◽  
C. Arcangeli ◽  
O. Bisi
Keyword(s):  
Chemical Bond ◽  
Electronic States

scholarly journals New Scale of the Ionic Character of the Chemical Bond Using Multiconfiguration SCF Wave Functions

1981 ◽  
Vol 54 (4) ◽  
pp. 967-970 ◽  
Author(s):  
Kazuhiro Ishida ◽  
Shuichi Kadowaki ◽  
Teijiro Yonezawa
Keyword(s):  
Chemical Bond ◽  
Wave Functions ◽  
Ionic Character

scholarly journals Chlorine NQR and Phase Transitions in NOCl

1996 ◽  
Vol 51 (5-6) ◽  
pp. 736-738 ◽  
Author(s):  
J. Pirnat ◽  
Z. Trontelj ◽  
H. Borrmann
Keyword(s):  
Phase Transition ◽  
Phase Transitions ◽  
Transition Temperature ◽  
Chemical Bond ◽  
Thermal Hysteresis ◽  
Ionic Character ◽  
Nitrosyl Chloride

Abstract Chlorine NQR studies of solid nitrosyl chloride NOCl at temperatures below 200 K were undertaken. They indicate an ionic character of the N-Cl chemical bond and confirm the phase transition near 140 K. Thermal hysteresis of the transition temperature was observed.

Ab initio calculations of the XI molecules (X = Li, Na, K, Rb) with the ionicity and laser cooling analysis

2020 ◽  
Vol 98 (1) ◽  
pp. 45-56 ◽  
Author(s):  
Israa Zeid ◽  
Rania Al Abdallah ◽  
Nayla El-Kork ◽  
Mahmoud Korek
Keyword(s):  
Dipole Moment ◽  
Ab Initio ◽  
Laser Cooling ◽  
Ground State ◽  
Bound States ◽  
Electronic States ◽  
Spectroscopic Constants ◽  
Ionic Character ◽  
Canonical Function ◽  
Dissociation Energies

For the alkali iodide molecules LiI, NaI, KI, and RbI, ab initio CASSCF/(MRCI+Q) calculations have been employed to investigate the adiabatic potential energy curves and the static dipole moment curves of the low-lying singlet and triplet electronic states in the representation 2S+1Λ(+/−). The spectroscopic constants Te, Re, ωe, Be, αe, the dipole moment μe, and the dissociation energies De have been computed for the bound states. Additionally, the percentage ionic character fionic around the equilibrium position of the ground state and the (2)1Σ+ state has been estimated. Using the canonical function approach, these calculations have been followed by a rovibrational calculation from which the rovibrational constants Ev, Bv, Dv, and the abscissas of the turning points Rmin and Rmax for the investigated bound states are calculated.

Chemical bond and electronic states in calcium silicides: Theory and comparison with synchrotron-radiation photoemission

1989 ◽  
Vol 40 (15) ◽  
pp. 10194-10209 ◽  
Author(s):  
O. Bisi ◽  
L. Braicovich ◽  
C. Carbone ◽  
I. Lindau ◽  
A. Iandelli ◽  
...  
Keyword(s):  
Synchrotron Radiation ◽  
Chemical Bond ◽  
Electronic States ◽  
Synchrotron Radiation Photoemission

Optimization of the Choice of Technological Methods for Nanomodification of Natural Aluminosilicates through the Parameters of the Element-Oxygen Chemical Bond

2021 ◽  
Vol 887 ◽  
pp. 201-206
Author(s):  
O.S. Sirotkin ◽  
Artem E. Buntin
Keyword(s):  
Chemical Bond ◽  
Thermal Activation ◽  
Aqueous Suspension ◽  
Oxide Nanoparticles ◽  
Ionic Character ◽  
Covalent Character ◽  
Aluminum Oxide Nanoparticles ◽  
Isothermal Exposure ◽  
Quantitative Characteristics ◽  
Technological Methods

The paper shows the possibility of using such quantitative characteristics of the element-oxygen chemical bond as the covalent character, metallic character and ionic character in substances to select a set of technological methods and develop a technology for nanomodification of natural bentonite aluminosilicates. The research results showed that thermal activation of bentonite at 200, 300, 380 and 400 °C with different modes of isothermal exposure (15, 30, 60, 120 minutes) does not significantly affect the efficiency of its modification with silicon (SS) and aluminum (AS) oxide nanoparticles, estimated by the increment of the compressive strength and the adsorption index for methylene blue. Obtaining a 46 % aqueous suspension of bentonite and modifying it with silicon and aluminum oxide nanoparticles followed by ultrasonic treatment after standing decreases the particle size by more than 4 times, which is a promising technological solution for improving the performance properties of ceramics, molding mixtures, adsorbents and other materials based on bentonite from various deposits.

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