✦ LIBER ✦

Double ionization of 2-butyne, 2-pentyne, 2-hexyne and 3-hexyne to singlet and triplet electronic states of their dications

✍ Scribed by R. L. Martin; N. Jeffreys; F. M. Harris; S. R. Andrews; D. E. Parry

Publisher: John Wiley and Sons
Year: 1997
Tongue: English
Weight: 174 KB
Volume: 11
Category: Article
ISSN: 0951-4198
DOI: 10.1002/(sici)1097-0231(199712)11:18<1980::aid-rcm503>3.0.co;2-q

No coin nor oath required. For personal study only.

✦ Synopsis

The double-ionization energies (DIEs) of 2-butyne, 2-pentyne, 2-hexyne and 3-hexyne molecules to singlet and triplet electronic states of their dications have been measured using double-charge-transfer spectroscopy. Values of DIEs to the lowest singlet and triplet states of the four dications were calculated using an ab initio method and the split-valence 3-21G and 6-31G basis sets. The pattern of those DIEs for the four molecules (and the previously studied propyne molecule) agree with that observed in the experimental values, thus giving an insight into the double-ionization processes of part of the alkyne family of molecules. The spectra showed many other peaks which correspond to double ionization to electronically excited states. For 2-butyne, the DIE values to those states calculated using a semi-empirical form of the multiple-scattering Xα computational method allowed the relevant electronic transition to be identified.

📜 SIMILAR VOLUMES

Calculated and measured double-ionizatio

Calculated and measured double-ionization energies of CH3Br, CH2Br2 and CHBr3 to singlet and triplet electronic states of their dications

✍ Russell P. Grant; Stuart R. Andrews; David E. Parry; Frank M. Harris 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 138 KB

Double-ionization energies of CH 3 Br, CH 2 Br 2 and CHBr 3 to singlet and triplet electronic states of their dications were calculated and measured. Double-charge-transfer spectroscopy was employed in the experimental part of the study; the computational work was carried out using a semi-empirical

Combined experimental and computational

Combined experimental and computational study of the double ionization of ethylamine, propylamine and butylamine to triplet electronic states of their dications

✍ Stuart R. Andrews; David E. Parry; Frank M. Harris 📂 Article 📅 1995 🏛 John Wiley and Sons 🌐 English ⚖ 538 KB

## Abstract Vertical double‐ionization energies of ethylamine, propylamine and butylamine molecules to triplet electronic states of their dications were measured by double‐charge‐transfer spectroscopy. The energies to the lowest states of the dications were calculated using an __ab initio__ method

Radical Cation and Dication Derived from

Radical Cation and Dication Derived from 4,8-Diethylbenzo[1,2-d:4,5-d′]bis[1,2,3]trithiole [DEBBT]: Change of Electronic State from Singlet-State Dication DEBBT(2+)-S to Triplet-State Dimer 2DEBBT(2+)-T in D2SO4 and CD3CN Solutions

✍ Takeshi Kimura; Takashi Sasaki; Hiroaki Yamaki; Eiichi Suzuki; Sigeya Niizuma 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 158 KB 👁 1 views

Experimental investigation of double ion

Experimental investigation of double ionization to ground and electronically excited states of chlorobenzene, 1,2-, 1,3- and 1,4-dichlorobenzene, 1,2,3-, 1,2,4- and 1,3,5-trichlorobenzene, 1,2,3,4-and 1,2,4,5-tetrachlorobenzene and pentachlorobenzene dications

✍ F. M. Harris; P. J. Jackson; J. A. Rontree; W. J. Griffiths 📂 Article 📅 1992 🏛 John Wiley and Sons 🌐 English ⚖ 571 KB

Double-charge-transfer spectrometry was used to measure double-ionization energies to ground and electronically excited states of various chlorobenzenes. Since OH+ was the projectile ion used in these experiments, it is probable that triplet states of the dications were populated because of spin con