Cluster Ions in Vapour over Calcium Dichloride: Theoretical Study of Geometrical Structure and Vibrational Spectra
Ibrahim Moustapher, Tatiana P. Pogrebnaya, Alexander M. Pogrebnoi
Current Journal of Applied Science and Technology · pp. 1–14 · Published 5 Oct 2015
10.9734/BJAST/2016/21810Abstract
Geometrical structure and vibrational spectra for CaCl3–, Ca2Cl3+, Ca3Cl5+, Ca4Cl7+, and Ca5Cl9+ ions have been studied by employing density functional theory and the second order Møller–Plesset perturbation theory. The equilibrium geometrical structures are as follows: the planar D3h for CaCl3–, triple-bridged bipyramid D3h for Ca2Cl3+, hexa-bridged bipyramid D3h for Ca3Cl5+, polyhedral C2v for Ca4Cl7+, and polyhedral D3h for Ca5Cl9+. No isomers have been confirmed to exist.
Cited by 6
Sospeter Imani, Fortunatus Jacob · Molecular Physics · 2022
Fortunatus Jacob, Tatiana P. Pogrebnaya, Alexander M. Pogrebnoi · Computational and Theoretical Chemistry · 2017
Fortunatus Jacob · Molecular Physics · 2023
Fortunatus Jacob, Tatiana P. Pogrebnaya, Alexander M. Pogrebnoi · Computational and Theoretical Chemistry · 2017
Unknown author, Fortunatus Jacob
Fortunatus Jacob, Alexander M. Pogrebnoi, Tatiana P. Pogrebnaya · Computational and Theoretical Chemistry · 2016
Related research
- The Hydrothermal Treatment Associated with Calcium Chloride Improve Banana cv. ‘Prata Gorutuba’ Quality Modulating Primary Metabolism — shares topic coverage
- Storability and Quality Attributes of Pear (Pyrus communis L.) cv. Carmen Fruits at Ambient Storage Conditions as Influenced by Foliar Application of Salicylic Acid and Calcium Chloride — shares topic coverage
- Calcium Chloride Can Influence the Stability Flexibility Complementarity and Consequently, Activity of Hydrolases: A Case Study on Porcine Alpha Amylase — shares topic coverage
- The Effect of Additives and Temperature on the Velocity of Hydrolysis of Raw Starch with Human Salivary - amylase — shares topic coverage
- Measurement of Counter Electrode Potential during Cyclic Voltammetry and Demonstration on Molten Salt Electrochemical Cells — shares topic coverage
Article metrics
Real usage data collected on this platform.
0
Page views
0
PDF downloads
0
Outbound clicks
6
Citations
Views by country
Approximate, from request IP at view time — not citizenship or institution. Countries with fewer than 5 views are grouped as "Other".
No views recorded yet.
Traffic sources
Referring site, by host.
No traffic recorded yet.
Views and downloads exclude known bots/crawlers. Citations combines this platform's own DOI-resolved index with each external source's own reported total — see Cited by above for individually listed citing works. Last refreshed 0 seconds ago.