Author Institution:Molecular orbital calculations using the Partial Retention of Diatomic Differential Overlap Method are presented for a number of arylalkylketones substituted at the ortho and/or para position by hydroxyl groups. Barriers to rotation about the carbonyl to phenyl carbon bond are computed and compared with activation parameters obtained from full lineshape analyses of exchange-broadened NMR spectra. Contributions from steric, mesomeric and hydrogen bonding effects are discussed
The rotational free energy barrier of methyl 2-(8-quinolyl)-6-oxocyclohex-1-enylacetate (2) about th...
A systematic study of the rotational activation free energy around the Caromatic-Cethylenic bond of ...
A series of 9,10-diarylphenanthrenes was prepared, and their structures and dynamic behaviors were b...
Author Institution:Molecular orbital calculations using the Partial Retention of Diatomic Differenti...
Department of Chemistry, Indian Institute of Technology, Kharagpur-721 302 Temperature dependence o...
NMR measurements and ab initio calculations were applied to determine the barriers to rotation aroun...
NMR measurements and ab initio calculations were applied to determine the barriers to rotation aroun...
The stereodynamic processes and conformational preferences of two classes of aryl fluorenyl ketones ...
The semi-empirical molecular orbital method AM1 has been found to accurately reproduce both the stru...
Temperature dependence of the n.m.r. spectra of three 2-aryl-6-oxocyclohex-1-enylacetic acid derivat...
By making use of low temperature dynamic NMR spectroscopy the rotation barriers about the sp3-sp2 bo...
In recent years, the study of restricted rotation bonds in organic compounds has aroused increasing ...
CAN 146:273814 AN 2007:52513 CAPLUS (COPYRIGHT (C) 2008 ACS ON SCIFINDER (R)) ABSTRA...
The conformational equilibrium as a result of the N-carbonyl bond rotation of several N-acyl- and N-...
none6siThe free energies of activation for the aryl–aryl rotation of 17 biphenyl derivatives, bearin...
The rotational free energy barrier of methyl 2-(8-quinolyl)-6-oxocyclohex-1-enylacetate (2) about th...
A systematic study of the rotational activation free energy around the Caromatic-Cethylenic bond of ...
A series of 9,10-diarylphenanthrenes was prepared, and their structures and dynamic behaviors were b...
Author Institution:Molecular orbital calculations using the Partial Retention of Diatomic Differenti...
Department of Chemistry, Indian Institute of Technology, Kharagpur-721 302 Temperature dependence o...
NMR measurements and ab initio calculations were applied to determine the barriers to rotation aroun...
NMR measurements and ab initio calculations were applied to determine the barriers to rotation aroun...
The stereodynamic processes and conformational preferences of two classes of aryl fluorenyl ketones ...
The semi-empirical molecular orbital method AM1 has been found to accurately reproduce both the stru...
Temperature dependence of the n.m.r. spectra of three 2-aryl-6-oxocyclohex-1-enylacetic acid derivat...
By making use of low temperature dynamic NMR spectroscopy the rotation barriers about the sp3-sp2 bo...
In recent years, the study of restricted rotation bonds in organic compounds has aroused increasing ...
CAN 146:273814 AN 2007:52513 CAPLUS (COPYRIGHT (C) 2008 ACS ON SCIFINDER (R)) ABSTRA...
The conformational equilibrium as a result of the N-carbonyl bond rotation of several N-acyl- and N-...
none6siThe free energies of activation for the aryl–aryl rotation of 17 biphenyl derivatives, bearin...
The rotational free energy barrier of methyl 2-(8-quinolyl)-6-oxocyclohex-1-enylacetate (2) about th...
A systematic study of the rotational activation free energy around the Caromatic-Cethylenic bond of ...
A series of 9,10-diarylphenanthrenes was prepared, and their structures and dynamic behaviors were b...