Controlling the conformation of arylamides: Computational studies of intramolecular hydrogen bonds between amides and ethers or thioethers

Chemistry - A European Journal

Volumn 10, Issue 20, 2004, Pages 5008-5016

  Doerksen, Robert J ^a   Chen, Bin ^a,b   Liu, Dahui ^c   Tew, Gregory N ^d   DeGrado, William F ^a,c   Klein, Michael L ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b LOUISIANA STATE UNIVERSITY   (United States)

^c UNIVERSITY OF PENNSYLVANIA   (United States)

^d UNIVERSITY OF MASSACHUSETTS   (United States)

Author keywords

Acetanilides; Amides; Density functional calculations; Hydrogen bonds; Oligomers

Indexed keywords

BENZENE; CONFORMATIONS; HYDROGEN BONDS; INFRARED RADIATION; OLIGOMERS; PROBABILITY DENSITY FUNCTION;

ARYLAMIDES; DENSITY FUNCTIONAL THEORY (DFT); INFRARED (IR) FREQUENCIES; THIOETHERS;

ETHERS;

ACETANILIDE; AMIDE; AROMATIC AMIDE; DIAMIDE; ETHER DERIVATIVE; MONOAMINE; SULFIDE;

ARTICLE; CONFORMATIONAL TRANSITION; CONJUGATION; DENSITY FUNCTIONAL THEORY; GEOMETRY; HYDROGEN BOND; MATHEMATICAL MODEL; MOLECULAR DYNAMICS;

AMIDES; COMPUTERS; ETHERS; HYDROGEN BONDING; MOLECULAR CONFORMATION; SULFIDES; THIOACETAMIDE; VIBRATION;

EID: 7044241365     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200400176     Document Type: Article

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