Staudinger reactions of unsymmetrical cyclic ketenes: a synthetically useful approach to spiro β-lactams and derivatives. Reaction mechanism and theoretical studiesElectronic supplementary information (ESI) available: Spectral data for compounds 4b–4m and 5b–5d and Cartesian coordinates and energies (hartrees) of zwitterionic intermediates (IZ1, IZ2, IZ3, and IZ4) and transition structures (TS1, TS2, TS3 and TS4). See http://www.rsc.org/suppdata/p1/b1/b103279h/

Journal of the Chemical Society Perkin Transactions 1 ◽

10.1039/b103279h ◽

2002 ◽

pp. 571-576 ◽

Author(s):

Eduardo Alonso ◽

Carlos del Pozo ◽

Javier González

Keyword(s):

Reaction Mechanism ◽

Spectral Data ◽

Supplementary Information ◽

Cartesian Coordinates ◽

Transition Structures

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Theoretical study of the reaction mechanism of the uncatalyzed epoxidation of alkenes by iodosylbenzeneElectronic supplementary information (ESI) available: B3LYP optimized geometries (Cartesian coordinates) and total energies for compounds 1 to 9. See http://www.rsc.org/suppdata/nj/b2/b203861g/

New Journal of Chemistry ◽

10.1039/b203861g ◽

2003 ◽

Vol 27 (5) ◽

pp. 811-817 ◽

Author(s):

Guada Barea ◽

Feliu Maseras ◽

Agustí Lledós

Keyword(s):

Reaction Mechanism ◽

Theoretical Study ◽

Supplementary Information ◽

Cartesian Coordinates ◽

Total Energies ◽

Epoxidation Of Alkenes ◽

Optimized Geometries

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Computational study on the electrocyclic reactions of [16]annuleneElectronic supplementary information (ESI) available: cartesian coordinates of all the equilibrium and transition structures optimized at the B3LYP/6-31G(d) level. See http://www.rsc.org/suppdata/ob/b3/b304654k/

Organic & Biomolecular Chemistry ◽

10.1039/b304654k ◽

2003 ◽

Vol 1 (15) ◽

pp. 2748 ◽

Author(s):

Ho-Lam Lee ◽

Wai-Kee Li

Keyword(s):

Computational Study ◽

Supplementary Information ◽

Cartesian Coordinates ◽

Electrocyclic Reactions ◽

Transition Structures

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Measurement of the percentage volume particle size distribution of powdered microcrystalline cellulose using reflectance near-infrared spectroscopyElectronic supplementary information (ESI) available: Particle size and spectral data. See http://www.rsc.org/suppdata/an/b3/b307263k/

The Analyst ◽

10.1039/b307263k ◽

2003 ◽

Vol 128 (11) ◽

pp. 1326 ◽

Author(s):

Andrew J. O'Neil ◽

Roger D. Jee ◽

Anthony C. Moffat

Keyword(s):

Particle Size ◽

Particle Size Distribution ◽

Size Distribution ◽

Spectral Data ◽

Microcrystalline Cellulose ◽

Near Infrared ◽

Supplementary Information ◽

Percentage Volume

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Notizen: Umsetzung von Tris-[dimethylaminino]-arsin mit Arsinigsäurediolestern, eine ungewöhnliche Arsolansynthese / Reaction of Tris-[dimethylamino]-arsine with Arsinous Acid Diolesters, an Unusual Synthesis of Arsolanes

Zeitschrift für Naturforschung B ◽

10.1515/znb-1976-0210 ◽

1976 ◽

Vol 31 (2) ◽

pp. 190-193 ◽

Author(s):

Werner J. Rühl ◽

Friedhelm Kober

Keyword(s):

Reaction Mechanism ◽

Spectral Data ◽

The reaction of tris-[dimethylamino]-arsine As(NMe2)3 with arsinous acid diolesters HO—RO—AsMe2 leads to the formation of the arsolanes RO2AsY (Y = NMe2, OROAsMe2) and the arsines Me2AsX (X = NMe2, OROAsMe2). The reaction mechanism is discussed; IR and 1H NMR spectral data are presented.

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Synthetic approach to kendomycin: preparation of the C-glycosidic coreElectronic supplementary information (ESI) available: selected spectral data for compounds 7, 8, 10, 11, 12, 15, 16, 17, 18, and 2. See http://www.rsc.org/suppdata/cc/b4/b402391a/

Chemical Communications ◽

10.1039/b402391a ◽

2004 ◽

pp. 1220 ◽

Author(s):

Tetsuya Sengoku ◽

Hirokazu Arimoto ◽

Daisuke Uemura

Keyword(s):

Spectral Data ◽

Supplementary Information ◽

Synthetic Approach

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Preparation and structures of novel silamacrocyclic compounds: silacalix[4]quinone and silacalix[4]hydroquinone octamethyl etherDedicated to Prof. Mitsuo Kira on the occasion of his 60th birthday.Electronic supplementary information (ESI) available: experimental procedures, spectral data and X-ray data of the products. See http://www.rsc.org/suppdata/cc/b3/b307048d/

Chemical Communications ◽

10.1039/b307048d ◽

2003 ◽

pp. 2322 ◽

Author(s):

Shinobu Tsutsui ◽

Kenkichi Sakamoto

Keyword(s):

Spectral Data ◽

Supplementary Information ◽

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Tandem RCM-Pauson–Khand reaction for access to tricycles in one stepElectronic supplementary information (ESI) available: spectral data and 1H-NMR and 13C-NMR spectra for compounds 8, 10, 11, 14a and 14b. See http://www.rsc.org/suppdata/ob/b3/b302277c

Organic & Biomolecular Chemistry ◽

10.1039/b302277c ◽

2003 ◽

Vol 1 (9) ◽

pp. 1450-1451 ◽

Author(s):

Marta Rosillo ◽

Luis Casarrubios ◽

Gema Domínguez ◽

Javier Pérez-Castells

Keyword(s):

Spectral Data ◽

1H Nmr ◽

13C Nmr ◽

Nmr Spectra ◽

Supplementary Information ◽

13C Nmr Spectra

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An experimental and theoretical dissection of potassium cation/glycine interactionsElectronic supplementary information (ESI) available: Fig. S1 shows a complete set of figures for collision-induced dissociation of six potassiated complexes with Xe. Table S1 lists vibrational frequencies and average vibrational energies at 298 K of the neutral molecules and potassiated complexes determined from vibrational analysis at the MP2(full)/6-31G(d) level. Table S2 lists rotational constants for the potassiated complexes and products for all seven K+(L) systems calculated at the same level of theory. Tables S3, S4, and S5 contain Cartesian coordinates for the neutral ligands and potassiated complexes calculated at the MP2(full)/6-31G(d), MP2(full)/6-31+G(d,p), and B3LYP/aug-cc-pVDZ levels. See http://www.rsc.org/suppdata/cp/b3/b315642g/

Physical Chemistry Chemical Physics ◽

10.1039/b315642g ◽

2004 ◽

Vol 6 (10) ◽

pp. 2588 ◽

Author(s):

R. M. Moision ◽

P. B. Armentrout

Keyword(s):

Vibrational Analysis ◽

Supplementary Information ◽

Potassium Cation ◽

Collision Induced Dissociation ◽

Rotational Constants ◽

Cartesian Coordinates ◽

Complete Set ◽

Vibrational Energies ◽

Neutral Ligands ◽

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A TDDFT description of the low-energy excited states of copper and zinc metalloenediynesElectronic supplementary information (ESI) available: Cartesian coordinates of optimized structures and tables of the TDDFT configurations for each excited state. See http://www.rsc.org/suppdata/cc/b3/b308633j/

Chemical Communications ◽

10.1039/b308633j ◽

2003 ◽

pp. 2876 ◽

Author(s):

Aurora E. Clark ◽

Ernest R. Davidson ◽

Jeffrey M. Zaleski

Keyword(s):

Excited State ◽

Excited States ◽

Supplementary Information ◽

Cartesian Coordinates ◽

Copper And Zinc

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A correlative IR, MS, 1H, 13C and 15N NMR and theoretical study of 4-arylthiazol-2(3H)-onesElectronic supplementary information (ESI) available: NMR data, including graphs; Cartesian coordinates for 3a and 4. See http://www.rsc.org/suppdata/p2/b1/b106322g/

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/b106322g ◽

2002 ◽

pp. 329-336 ◽

Author(s):

Kalevi Pihlaja ◽

Vladimir Ovcharenko ◽

Erkki Kolehmainen ◽

Katri Laihia ◽

Walter M. F. Fabian ◽

...

Keyword(s):

Theoretical Study ◽

Supplementary Information ◽

15N Nmr ◽

Cartesian Coordinates ◽

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