Solving the Puzzling Absolute Configuration Determination of a Flexible Molecule by Vibrational and Electronic Circular Dichroism Spectroscopies and DFT Calculations: The Case Study of a Chiral 2,2′-Dinitro-2,2′-biaziridine

Sergio Abbate; Alessia Ciogli; Stefania Fioravanti; Francesco Gasparrini; Giovanna Longhi; Lucio Pellacani; Egon Rizzato; Domenico Spinelli; Paolo A. Tardella

doi:10.1002/ejoc.201000762

Solving the Puzzling Absolute Configuration Determination of a Flexible Molecule by Vibrational and Electronic Circular Dichroism Spectroscopies and DFT Calculations: The Case Study of a Chiral 2,2′-Dinitro-2,2′-biaziridine

European Journal of Organic Chemistry ◽

10.1002/ejoc.201000762 ◽

2010 ◽

Vol 2010 (32) ◽

pp. 6193-6199 ◽

Cited By ~ 11

Author(s):

Sergio Abbate ◽

Alessia Ciogli ◽

Stefania Fioravanti ◽

Francesco Gasparrini ◽

Giovanna Longhi ◽

...

Keyword(s):

Circular Dichroism ◽

Dft Calculations ◽

Absolute Configuration ◽

Electronic Circular Dichroism ◽

Flexible Molecule ◽

Circular Dichroïsm

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Determination of Absolute Configuration Using Concerted ab Initio DFT Calculations of Electronic Circular Dichroism and Optical Rotation: Bicyclo[3.3.1]nonane Diones

The Journal of Organic Chemistry ◽

10.1021/jo0357061 ◽

2004 ◽

Vol 69 (6) ◽

pp. 1948-1958 ◽

Cited By ~ 77

Author(s):

P. J. Stephens ◽

D. M. McCann ◽

E. Butkus ◽

S. Stončius ◽

J. R. Cheeseman ◽

...

Keyword(s):

Circular Dichroism ◽

Dft Calculations ◽

Ab Initio ◽

Absolute Configuration ◽

Optical Rotation ◽

Electronic Circular Dichroism ◽

Determination Of Absolute Configuration ◽

Circular Dichroïsm ◽

Ab Initio Dft

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Determination of the Absolute Configuration of Perylene Quinone-Derived Mycotoxins by Measurement and Calculation of Electronic Circular Dichroism Spectra and Specific Rotations

Chemistry - A European Journal ◽

10.1002/chem.201402567 ◽

2014 ◽

Vol 20 (36) ◽

pp. 11463-11470 ◽

Cited By ~ 9

Author(s):

Joachim Podlech ◽

Stefanie C. Fleck ◽

Manfred Metzler ◽

Jochen Bürck ◽

Anne S. Ulrich

Keyword(s):

Circular Dichroism ◽

Absolute Configuration ◽

Circular Dichroism Spectra ◽

Electronic Circular Dichroism ◽

The Absolute ◽

Circular Dichroïsm

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Determination of the absolute configuration of aromatase and dual aromatase-sulfatase inhibitors by vibrational and electronic circular dichroism spectra analysis

Chirality ◽

10.1002/chir.20685 ◽

2009 ◽

Vol 21 (9) ◽

pp. 802-808 ◽

Cited By ~ 14

Author(s):

Sergio Abbate ◽

Giovanna Longhi ◽

Ettore Castiglioni ◽

France Lebon ◽

Paul M. Wood ◽

...

Keyword(s):

Circular Dichroism ◽

Absolute Configuration ◽

Circular Dichroism Spectra ◽

Electronic Circular Dichroism ◽

Spectra Analysis ◽

The Absolute ◽

Circular Dichroïsm

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Determination of absolute configuration and binding efficacy of benzimidazole-based FabI inhibitors through the support of electronic circular dichroism and MM-GBSA techniques

Bioorganic & Medicinal Chemistry Letters ◽

10.1016/j.bmcl.2018.04.052 ◽

2018 ◽

Vol 28 (11) ◽

pp. 2074-2079 ◽

Cited By ~ 8

Author(s):

Jinhong Ren ◽

Tina L. Mistry ◽

Pin-Chih Su ◽

Shahila Mehboob ◽

Robel Demissie ◽

...

Keyword(s):

Circular Dichroism ◽

Absolute Configuration ◽

Electronic Circular Dichroism ◽

Determination Of Absolute Configuration ◽

Circular Dichroïsm

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The first enantiomeric discorhabdin alkaloids and determination of absolute configuration using TDDFT calculations of electronic circular dichroism data

Planta Medica ◽

10.1055/s-0028-1083912 ◽

2008 ◽

Vol 74 (09) ◽

Author(s):

T Grkovic ◽

XC Li ◽

Y Ding ◽

D Ferreira ◽

BR Copp

Keyword(s):

Circular Dichroism ◽

Absolute Configuration ◽

Electronic Circular Dichroism ◽

Tddft Calculations ◽

Determination Of Absolute Configuration ◽

Circular Dichroism Data ◽

Circular Dichroïsm

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Application of Electronic Circular Dichroism Spectroscopic Methods in Determination of Absolute Configuration of Chiral Metal Complexes

Daxue Huaxue ◽

10.3866/pku.dxhx201612016 ◽

2017 ◽

Vol 32 (3) ◽

pp. 1-14

Author(s):

Hui ZHANG ◽

Keyword(s):

Circular Dichroism ◽

Metal Complexes ◽

Absolute Configuration ◽

Spectroscopic Methods ◽

Electronic Circular Dichroism ◽

Determination Of Absolute Configuration ◽

Circular Dichroïsm

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Determination of Absolute Configuration of Natural Products: Theoretical Calculation of Electronic Circular Dichroism as a Tool

Current Organic Chemistry ◽

10.2174/138527210792927717 ◽

2010 ◽

Vol 14 (16) ◽

pp. 1678-1697 ◽

Cited By ~ 191

Author(s):

Xing-Cong Li ◽

Daneel Ferreira ◽

Yuanqing Ding

Keyword(s):

Natural Products ◽

Circular Dichroism ◽

Theoretical Calculation ◽

Absolute Configuration ◽

Electronic Circular Dichroism ◽

Determination Of Absolute Configuration ◽

Circular Dichroïsm

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ChemInform Abstract: Determination of Absolute Configuration of Natural Products: Theoretical Calculation of Electronic Circular Dichroism as a Tool

ChemInform ◽

10.1002/chin.201111273 ◽

2011 ◽

Vol 42 (11) ◽

pp. no-no

Author(s):

Xing-Cong Li ◽

Daneel Ferreira ◽

Yuanqing Ding

Keyword(s):

Natural Products ◽

Circular Dichroism ◽

Theoretical Calculation ◽

Absolute Configuration ◽

Electronic Circular Dichroism ◽

Determination Of Absolute Configuration ◽

Circular Dichroïsm

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Determination of absolute configuration of an isopimarane-type diterpenoid by experimental and theoretical electronic circular dichroism and vibrational circular dichroism

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.06.040 ◽

2017 ◽

Vol 1146 ◽

pp. 484-489 ◽

Cited By ~ 4

Author(s):

Zhi-Qiang Wang ◽

Cheng-Jun Wu ◽

Zhen-Hui Wang ◽

Chao Huang ◽

Jian Huang ◽

...

Keyword(s):

Circular Dichroism ◽

Absolute Configuration ◽

Vibrational Circular Dichroism ◽

Electronic Circular Dichroism ◽

Determination Of Absolute Configuration ◽

Circular Dichroïsm

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Vibrational and electronic circular dichroism spectroscopies and DFT calculations for the assignment of the absolute configuration of hydroxy-substituted 2-tetralols

RSC Advances ◽

10.1039/c2ra21080k ◽

2012 ◽

Vol 2 (27) ◽

pp. 10200 ◽

Cited By ~ 8

Author(s):

Sergio Abbate ◽

France Lebon ◽

Giovanna Longhi ◽

Carlo F. Morelli ◽

Daniela Ubiali ◽

...

Keyword(s):

Circular Dichroism ◽

Dft Calculations ◽

Absolute Configuration ◽

Electronic Circular Dichroism ◽

The Absolute ◽

Circular Dichroïsm

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