Influence of ortho substituents on 17O NMR chemical shifts in phenyl esters of substituted benzoic acids

Vilve Nummert; Vahur Mäemets; Mare Piirsalu; Ilmar A. Koppel

doi:10.1002/poc.1784

Influence of ortho substituents on 17O NMR chemical shifts in phenyl esters of substituted benzoic acids

Journal of Physical Organic Chemistry ◽

10.1002/poc.1784 ◽

2010 ◽

Vol 24 (7) ◽

pp. 539-552 ◽

Cited By ~ 10

Author(s):

Vilve Nummert ◽

Vahur Mäemets ◽

Mare Piirsalu ◽

Ilmar A. Koppel

Keyword(s):

Chemical Shifts ◽

Benzoic Acids ◽

17O Nmr ◽

Nmr Chemical Shifts ◽

Substituted Benzoic Acids

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17O NMR spectroscopy: Effect of substituents on chemical shifts forp-substituted benzoic acids, methyl benzoates, cinnamic acids and methyl cinnamates

Organic Magnetic Resonance ◽

10.1002/mrc.1270221204 ◽

1984 ◽

Vol 22 (12) ◽

pp. 753-756 ◽

Cited By ~ 47

Author(s):

P. Balakrishnan ◽

A. L. Baumstark ◽

D. W. Boykin

Keyword(s):

Nmr Spectroscopy ◽

Chemical Shifts ◽

Benzoic Acids ◽

Cinnamic Acids ◽

17O Nmr ◽

Effect Of Substituents ◽

Substituted Benzoic Acids ◽

17O Nmr Spectroscopy

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Influence of Aprotic Solvents on the Transmission of Anomalous Substituent Effects on 13C NMR Chemical Shifts at the Carboxyl Carbon (δco) in Meta-Substituted Benzoic Acids: A Strong Evidence for π-Polarization Mechanism

Applied Magnetic Resonance ◽

10.1007/s00723-011-0276-7 ◽

2011 ◽

Vol 42 (3) ◽

pp. 321-332 ◽

Cited By ~ 1

Author(s):

Susanta K. Sen Gupta ◽

Ruchi Shrivastava

Keyword(s):

13C Nmr ◽

Strong Evidence ◽

Chemical Shifts ◽

Substituent Effects ◽

Aprotic Solvents ◽

Benzoic Acids ◽

13C Nmr Chemical Shifts ◽

Polarization Mechanism ◽

Substituted Benzoic Acids ◽

Carboxyl Carbon

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17O NMR chemical shifts in polyoxometallate anions

Journal of Structural Chemistry ◽

10.1007/bf00745994 ◽

1981 ◽

Vol 22 (1) ◽

pp. 129-131 ◽

Cited By ~ 2

Author(s):

R. I. Maksimovskaya ◽

M. A. Fedotov

Keyword(s):

Chemical Shifts ◽

17O Nmr ◽

Nmr Chemical Shifts

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17O NMR Chemical Shifts in Peptides

Modeling NMR Chemical Shifts - ACS Symposium Series ◽

10.1021/bk-1999-0732.ch009 ◽

1999 ◽

pp. 126-137 ◽

Cited By ~ 6

Author(s):

S. Kuroki ◽

K. Yamauchi ◽

Hiromichi Kurosu ◽

S. Ando ◽

Isao Ando ◽

...

Keyword(s):

Chemical Shifts ◽

17O Nmr ◽

Nmr Chemical Shifts

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Density functional theory calculations of 17O NMR chemical shifts for substituted trifluoromethyl aryl ketones

Tetrahedron Letters ◽

10.1016/s0040-4039(97)10799-7 ◽

1998 ◽

Vol 39 (9) ◽

pp. 1001-1004 ◽

Cited By ~ 2

Author(s):

Ito Chao ◽

Ko-Wen Chen ◽

Kwang-Ting Liu ◽

Chia-Chin Tsoo

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Chemical Shifts ◽

Density Functional Theory Calculations ◽

17O Nmr ◽

Functional Theory ◽

Nmr Chemical Shifts ◽

Aryl Ketones

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17O NMR chemical shifts of 3-(substituted methylene)-(Z)-1(3H)-isobenzofuranones: correlations with IR stretching wavenumbers and AM1 charges

Magnetic Resonance in Chemistry ◽

10.1002/(sici)1097-458x(199807)36:7<511::aid-omr317>3.0.co;2-6 ◽

1998 ◽

Vol 36 (7) ◽

pp. 511-514 ◽

Cited By ~ 7

Author(s):

Erkki Kolehmainen ◽

Kari Lappalainen ◽

Alexander Perjéssy ◽

Pavol Hrnčiar ◽

Margita Lácová ◽

...

Keyword(s):

Chemical Shifts ◽

17O Nmr ◽

Nmr Chemical Shifts

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ChemInform Abstract: Analysis of 13C NMR Substituent Chemical Shifts in 3-Substituted Thiophene-2-carboxylic and 2-Substituted Benzoic Acids by Linear Free Energy Relationships

ChemInform ◽

10.1002/chin.198840044 ◽

1988 ◽

Vol 19 (40) ◽

Author(s):

R. NOTO ◽

L. LAMARTINA ◽

C. ARNONE ◽

D. SPINELLI

Keyword(s):

Free Energy ◽

13C Nmr ◽

Chemical Shifts ◽

Benzoic Acids ◽

Linear Free Energy Relationships ◽

Linear Free Energy ◽

Energy Relationships ◽

Substituted Benzoic Acids

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Scalar Relativistic Effects on 17O NMR Chemical Shifts in Transition-Metal Oxo Complexes. An ab Initio ECP/DFT Study. [Erratum to document cited in CA122:254385]

Journal of the American Chemical Society ◽

10.1021/ja00137a036 ◽

1995 ◽

Vol 117 (32) ◽

pp. 8492-8492 ◽

Cited By ~ 13

Author(s):

Martin Kaupp ◽

Vladimir G. Malkin ◽

Olga L. Malkina ◽

Dennis R. Salahub

Keyword(s):

Transition Metal ◽

Ab Initio ◽

Chemical Shifts ◽

Relativistic Effects ◽

Dft Study ◽

17O Nmr ◽

Nmr Chemical Shifts ◽

Oxo Complexes

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An Analysis of the Substituent Effects on 13C and 17O NMR Chemical Shifts of Some 5-Substituted 2-Acetylthiophenes by Linear Free Energy Relationships.

Acta Chemica Scandinavica ◽

10.3891/acta.chem.scand.47-0160 ◽

1993 ◽

Vol 47 ◽

pp. 160-166 ◽

Cited By ~ 21

Author(s):

Domenico Spinelli ◽

Liliana Lamartina ◽

Stefano Chimichi ◽

Renato Noto ◽

Giovanni Consiglio ◽

...

Keyword(s):

Free Energy ◽

Chemical Shifts ◽

Substituent Effects ◽

Linear Free Energy Relationships ◽

17O Nmr ◽

Nmr Chemical Shifts ◽

Linear Free Energy ◽

Energy Relationships

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On resonance interactions in methyl 4-X-benzoates and the effect of 2,6-dimethyl substitution. 13C or 17O NMR chemical shifts as effective indicators of π-electron-density distribution?

ARKIVOC ◽

10.3998/ark.5550190.0010.818 ◽

2009 ◽

Vol 2009 (8) ◽

pp. 212-221 ◽

Cited By ~ 4

Author(s):

Massimo Maccagno ◽

Andrea Mele ◽

Roberta Musio ◽

Giovanni Petrillo ◽

Fernando Sancassan ◽

...

Keyword(s):

Density Distribution ◽

Electron Density ◽

Electron Density Distribution ◽

Chemical Shifts ◽

17O Nmr ◽

Nmr Chemical Shifts ◽

Resonance Interactions

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