Theoretical investigation of the interaction between fluorinated dimethyl ethers (nF = 1-5) and water: Role of the acidity and basicity on the competition between OH⋯O and CH⋯O hydrogen bonds

Journal of Physical Chemistry A

Volumn 113, Issue 21, 2009, Pages 6182-6191

  Parveen, Salma ^a   Chandra, Asit K ^a   Zeegers Huyskens, Thérèse ^b  

^a NORTH EASTERN HILL UNIVERSITY   (India)

^b UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MP2; ATOMIC CHARGE; B3LYP DENSITY FUNCTIONAL; BLUE SHIFT; C ATOMS; C-H BOND; CLOSED STRUCTURES; DIMETHYL ETHERS; FLUORINATED ETHERS; HYDROGEN-BONDED COMPLEXES; HYPERCONJUGATION; LINEAR STRUCTURES; NATURAL BOND ORBITAL ANALYSIS; OH STRETCHING VIBRATIONS; PROTON AFFINITY; RED SHIFT; STRETCHING VIBRATIONS; THEORETICAL CALCULATIONS; THEORETICAL INVESTIGATIONS;

ATOMS; BINDING ENERGY; BINDING SITES; ETHERS; HYDROGEN; ORGANIC COMPOUNDS; STRETCHING;

HYDROGEN BONDS;

DIMETHYL ETHER; ETHER DERIVATIVE; FLUORINE; WATER;

ARTICLE; CHEMISTRY; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; PH; THERMODYNAMICS; VIBRATION;

FLUORINE; HYDROGEN BONDING; HYDROGEN-ION CONCENTRATION; METHYL ETHERS; SPECTROPHOTOMETRY, INFRARED; THERMODYNAMICS; VIBRATION; WATER;

EID: 66349113466     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp902244j     Document Type: Article

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