✦ LIBER ✦

.DELTA.2-1,2,4-Oxadiazolines. 1. Molecular orbital calculations, absorption and fluorescence spectra

✍ Scribed by Srivastava, Rajendra Mohan; Brinn, Ira M.

Book ID: 126917509
Publisher: American Chemical Society
Year: 1977
Tongue: English
Weight: 555 KB
Volume: 42
Category: Article
ISSN: 0022-3263
DOI: 10.1021/jo00429a016

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Absorption, Fluorescence, and Magnetic C

Absorption, Fluorescence, and Magnetic Circular Dichroism Spectra of and Molecular Orbital Calculations on Tetrabenzotriazaporphyrins and Tetranaphthotriazaporphyrins

✍ Mack, John; Kobayashi, Nagao; Leznoff, Clifford C.; Stillman, Martin J. 📂 Article 📅 1997 🏛 American Chemical Society 🌐 English ⚖ 278 KB

Crystallographic study and molecular orb

Crystallographic study and molecular orbital calculations of 1,2,5-thiadiazole 1,1-dioxide derivatives

✍ E. E. Castellano; O. E. Piro; J. A. Caram; M. V. Mirifico; S. L. Aimone; E. J. V 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 528 KB

Single-crystal x-ray diffraction studies are reported for 3,4-dimethyl (I), 3-methyl-4-phenyl (II) and 3,4-diphenyl (III) derivatives of 1,2,5-thiadiazole 1,1-dioxide. Ab initio MO calculations on the electronic structure, conformation and reactivity of I, II and III are also reported and compared w

Conformational Analysis of 1,2:3,4-Diepo

Conformational Analysis of 1,2:3,4-Diepoxides: Ab Initio and semiempirical molecular-orbital calculations

✍ Martin Nikles; Daniel Bur; Urs Séquin; Hanspeter Huber 📂 Article 📅 1992 🏛 John Wiley and Sons 🌐 German ⚖ 402 KB 👁 1 views

From the Ph. D. thesis of M . N . [l]. We call diepoxides 'open-chain' diepoxides, if they are not part of a larger ring system.

Donor-acceptor pyran-2-ones: Absorption

Donor-acceptor pyran-2-ones: Absorption and fluorescence spectra of 4-substituted 2H-1-benzo/napthopyran-2-ones

✍ Rajesh S. Kenny; Uday C. Mashelkar 📂 Article 📅 2006 🏛 Journal of Heterocyclic Chemistry 🌐 English ⚖ 70 KB

The absorption spectra and emission spectra of 4-substituted 2H-1-benzo/napthopyran-2-ones 3a-l have been determined in THF and DMSO. The substituent at the 4-position of the 2H-benzo/napthopyran-2-one, establishes a compact conjugation pathway in which the pyran-2-one nucleus can act as an acceptor

DFT molecular orbital calculations and n

DFT molecular orbital calculations and natural bond orbital analysis of 1,2,7-thiadiazepane conformers

✍ Haghdadi, Mina 📂 Article 📅 2013 🏛 Springer Vienna 🌐 English ⚖ 431 KB

Conformational analysis of 4h-1,3,2-benz

Conformational analysis of 4h-1,3,2-benzodioxaphosphorin 2-sulfides with ab initio molecular orbital calculations

✍ Yasuyuki Kurita; Chiyozo Takayama; Mitsuru Sasaki 📂 Article 📅 1992 🏛 John Wiley and Sons 🌐 English ⚖ 368 KB 👁 1 views

Among some 2-substituted 4H-1,3,2-benzodioxaphosphorin 2-sulfides, the 2-OMe derivative has the sulfur atom mainly in the quasiequatorial position. On the other hand, the conformation in which the sulfur is quasiaxial is favored in the 2-NHMe and 2-Et derivatives. We have done ab initio molecular or