Quaternary Ammonium Room-Temperature Ionic Liquid Including an Oxygen Atom in Side Chain/Lithium Salt Binary Electrolytes: Ab Initio Molecular Orbital Calculations of Interactions between Ions

2008 ◽  
Vol 112 (32) ◽  
pp. 9914-9920 ◽  
Author(s):  
Seiji Tsuzuki ◽  
Kikuko Hayamizu ◽  
Shiro Seki ◽  
Yasutaka Ohno ◽  
Yo Kobayashi ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Oxygen Atom ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Quaternary Ammonium ◽  
Room Temperature ◽  
Lithium Salt ◽  
Room Temperature Ionic Liquid ◽  
Side Chain ◽  
Molecular Orbital Calculations

Quaternary Ammonium Room-Temperature Ionic Liquid/Lithium Salt Binary Electrolytes: Electrochemical Study

2008 ◽  
Vol 155 (6) ◽  
pp. A421 ◽  
Author(s):  
Shiro Seki ◽  
Yasutaka Ohno ◽  
Hajime Miyashiro ◽  
Yo Kobayashi ◽  
Akira Usami ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Quaternary Ammonium ◽  
Room Temperature ◽  
Lithium Salt ◽  
Room Temperature Ionic Liquid ◽  
Electrochemical Study ◽  
Liquid Lithium

A theoretical study of adduct formation between methanolate and Propan-2-one

1981 ◽  
Vol 34 (6) ◽  
pp. 1189 ◽  
Author(s):  
JC Sheldon
Keyword(s):  
Hydrogen Bond ◽  
Oxygen Atom ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Theoretical Study ◽  
Adduct Formation ◽  
Molecular Orbital Calculations ◽  
Carbonyl Carbon ◽  
Methyl Group ◽  
Methoxide Anion

Ab initio molecular orbital calculations at the STO-3G level of approximation predict that the methoxide anion bonds through its oxygen atom to form complexes with acetone in at least three different ways: (i) A tetrahedral adduct at the carbonyl carbon (ΔE -262 kJ mol-1). (ii) A hydrogen-bond complex with a single hydrogen of one methyl group (- 100 kJ mol-1). (iii) A symmetrical bidentate hydrogen-bond complex with a hydrogen from each acetone methyl group (- 143 kJ mol-1).

Sign in / Sign up

Export Citation Format

Share Document