𝔖 Bobbio Scriptorium

✦ LIBER ✦

H-Bonding in Alcohols Is Reflected in the Cα−H Bond Strength: Variation of C−D Vibrational Frequency and Fractionation Factor

✍ Scribed by Gawlita, Ewa; Lantz, Marily; Paneth, Piotr; Bell, Alasdair F.; Tonge, Peter J.; Anderson, Vernon E.

Book ID: 126897538
Publisher: American Chemical Society
Year: 2000
Tongue: English
Weight: 138 KB
Volume: 122
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja001891d

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

C α −H Bond-Stretching Frequency in Alco

C α −H Bond-Stretching Frequency in Alcohols as a Probe of Hydrogen-Bonding Strength: A Combined Vibrational Spectroscopic and Theoretical Study of n -[1-D]Propanol

✍ Jarmelo, S.; Maiti, N.; Anderson, V.; Carey, P. R.; Fausto, R. 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 189 KB

The nature of the co-ordinate link. Part

The nature of the co-ordinate link. Part IX. The dissociation constants of the acids p-R3M·C6H4·CO2H (M = C, Si, Ge, and Sn and R = Me and Et) and the relative strengths of dπ–pπ-bonding in the M–Carbond

✍ Chatt, J. ;Williams, A. A. 📂 Article 📅 1954 🏛 The Royal Society of Chemistry ⚖ 952 KB

The cocaine- and amphetamine-regulated t

The cocaine- and amphetamine-regulated transcript mediates ligand-independent activation of ERα, and is an independent prognostic factor in node-negative breast cancer

✍ Brennan, D J; O'Connor, D P; Laursen, H; McGee, S F; McCarthy, S; Zagozdzon, R; 📂 Article 📅 2011 🏛 Nature Publishing Group 🌐 English ⚖ 792 KB

Oxygenate, oxyalkyl and alkoxycarbonyl t

Oxygenate, oxyalkyl and alkoxycarbonyl thermochemistry and rates for hydrogen abstraction from oxygenatesElectronic supplementary information (ESI) available: Supplementary Table A: The MP2/6-31G(d?) optimized Cartesian coordinates (in ?), the unscaled harmonic vibrational frequencies (in cm?1) and rotational CONSTS (in GHz) at the HF/6-31G(d?) level of the transition structures involved in the abstraction by H atom from the methoxy, primary and secondary alkoxy, carbonyl and hydroperoxy hydrogens. Supplementary Table B: The MP2/6-31G(d?) optimized Cartesian coordinates (in ?), the unscaled harmonic vibrational frequencies (in cm?1) and rotational constants (in GHz) at the HF/6-31G(d?) level of the transition structures involved in the abstraction by CH3 group from the methoxy, primary and secondary alkoxy, carbonyl and hydroperoxy hydrogens. Supplementary Table C: Number of minima on the one-dimensional rotational potential energy surface and the relative energies (in kcal mol?1) of minima together with the total barrier height (in kcal mol?1) for rotation around the specified bond at the HF/6-31G(d?) level. See http://www.rsc.org/suppdata/cp/b3/b307050f/

✍ Sumathi, R.; Green, Jr., William H. 📂 Article 📅 2003 🏛 Royal Society of Chemistry 🌐 English ⚖ 345 KB

Exo-?-bonding to an ortho-carborane hype

Exo-?-bonding to an ortho-carborane hypercarbon atom: systematic icosahedral cage distortions reflected in the structures of the fluoro-, hydroxy- and amino-carboranes, 1-X-2-Ph-1,2-C2B10H10�(X = F, OH or NH2) and related anionsElectronic supplementary information (ESI) available: CIF file for five ortho-carborane derivatives. Tables of energies for MP2/6?31G* optimised geometries, selected structural data for the aminocarborane PhCb�NH2 and for biscarborane derivatives. See http://www.rsc.org/suppdata/dt/b4/b406422d/

✍ Boyd, Lynn A.; Clegg, William; Copley, Royston C. B.; Davidson, Matthew G.; Fox, 📂 Article 📅 2004 🏛 Royal Society of Chemistry 🌐 English ⚖ 611 KB