✦ LIBER ✦

The conformational equilibrium of CH3CH2CH2NH3+: Raman study in solution and ab initio calculations

✍ Scribed by Hans Hagemann; Hans Bill; Jiri Mareda

Publisher: Elsevier Science
Year: 1989
Tongue: English
Weight: 560 KB
Volume: 196
Category: Article
ISSN: 0022-2860
DOI: 10.1016/0022-2860(89)85006-9

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Infrared and Raman Spectra, conformation

Infrared and Raman Spectra, conformations, ab initio calculations and spectral assignments of 1,3-disilabutane (SiH3CH2SiH2CH3)

✍ Gamil A. Guirgis; Paul M. Mazzone; Daniel N. Pasko; Peter Klaeboe; Anne Horn; Cl 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 407 KB

## Abstract Raman spectra of 1,3‐disilabutane (SiH~3~CH~2~SiH~2~CH~3~) as a liquid were recorded at 293 K and as a solid at 78 K. In the Raman cryostat at 78 K an amorphous phase was first formed, giving a spectrum similar to that of the liquid. After annealing to 120 K, the sample crystallized and

Vibrational spectroscopic studies, confo

Vibrational spectroscopic studies, conformations and ab initio calculations of 1,2-bis(trifluorosilyl)ethane (SiF3CH2CH2SiF3)

✍ Peter Klaeboe; Claus J. Nielsen; Anne Horn; Gamil A. Guirgis; Kathleen V. Kilway 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 289 KB

A Gaussian-2 ab initio study of isomeric

A Gaussian-2 ab initio study of isomeric CH3O2 and CH3O2+

✍ Yu-San Cheung; Wai-Kee Li 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 570 KB

By means of a geometry optimization at the MP2/6-3 lG(d) level, the CH302 radicals have been found to exist in five isomeric forms. In order of decreasing stabilities, they are: HO-CH-OH ( ) > 0-CH,-OH (2) > CH&-0 (3) > CH2-O-OH (4) > CHI OH-O (5). On the other hand, there are six CHpO$ isomers: HO-

Rotational isomerism in CH3C(S)SCH3 an

Rotational isomerism in CH3C(S)SCH3 and CH3C(S)SCH2CH3: a combined vibrational spectroscopic and ab initio study

✍ R. Fausto; A. Gabriela Martins; J.J.C. Teixeira-Dias; P.J. Tonge; P.R. Carey 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 848 KB

Agostic CHM interactions and the struct

Agostic CHM interactions and the structure of Ti(PH2CH2)2Cl3CH3: an ab initio investigation

✍ Horst Weiss; Frank Haase; Reinhart Ahlrichs 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 308 KB

The equilibrium geometry of the title compound, which serves as a model for Ti (dmpe)C13CH3, has been obtained by means of SCF and MP2 calculations. The computed MP2 geometry is in excellent agreement with experimental neutron diffraction data. The crucial angle Ti-C-H of 93.5 ° that led previous wo

Oxidation of CH3NH2 and (CH3)2NH by NiII

Oxidation of CH3NH2 and (CH3)2NH by NiIII(cyclam)(H2O)23+ in Aqueous Solutions

✍ Dror Shamir; Israel Zilbermann; Eric Maimon; Dan Meyerstein 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 121 KB

## Abstract Ni^II^(1,4,8,11‐tetraazacyclotetradecane)^2+^, Ni^II^L^2+^, is a good electrocatalyst for the oxidation of CH~3~NH~2~ and (CH~3~)~2~NH but not of (CH~3~)~3~N. The oxidation kinetics of the amines by Ni^III^L(H~2~O)~2~^3+^ indicate that the amines are good axial ligands to the tervalent