𝔖 Bobbio Scriptorium

✦ LIBER ✦

160. Molecular polarisation and molecular interaction. Part I. The apparent dipole moments of aniline, methylaniline, and dimethylaniline in benzene and 1 : 4-dioxan solutions

✍ Scribed by Few, A. V. ;Smith, J. W.

Book ID: 118261689
Publisher: The Royal Society of Chemistry
Year: 1949
Weight: 774 KB
Category: Article
ISSN: 0368-1769
DOI: 10.1039/jr9490000753

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📜 SIMILAR VOLUMES

764. Molecular polarisation and molecula

764. Molecular polarisation and molecular interaction. Part VIII. The apparent dipole moments of some derivatives of N-methyl-aniline in benzene and dioxan solutions

✍ Smith, J. W. ;Walshaw, S. M. 📂 Article 📅 1959 🏛 The Royal Society of Chemistry ⚖ 486 KB

19. Molecular polarisation and molecular

19. Molecular polarisation and molecular interaction. Part V. The apparent dipole moments of mesidine, aminodurene, and methylmesidine in benzene and dioxan solutions

✍ Smith, J. W. 📂 Article 📅 1953 🏛 The Royal Society of Chemistry ⚖ 473 KB

629. Molecular polarisation and molecula

629. Molecular polarisation and molecular interaction. Part VI. The apparent dipole moments of m- and p-nitroaniline, m- and p-bromoaniline, and p-toluidine in benzene and dioxan solutions

✍ Smith, J. W. ;Walshaw, S. M. 📂 Article 📅 1957 🏛 The Royal Society of Chemistry ⚖ 537 KB

Computational design of benzothiazole-de

Computational design of benzothiazole-derived push?pull dyes with high molecular quadratic hyperpolarizabilitiesElectronic supplementary information (ESI) available: Table S1: Heats of formation and relevant torsional angles (AM1) and ZINDO (gas phase and dioxane solution) dipole moments and ?vec-values for different conformations of compounds 1?51. Table S2: B3LYP/6-31G* energies, zero point energy corrections (au), torsional angles, DRRPA-HF/6-31G* and ZINDO (gas phase) hyperpolarizabilities for different conformations. Table S3: Contributions (two-state model, other configurations) to ZINDO gas phase hyperpolarizabilities (B3LYP/6-31G* lowest energy conformation). Table S4: Orbital energies and coefficients (2pz, 3pz) of the two highest occupied and two lowest virtual orbitals of pertinent model compounds. Table S5: Main configurations (gas phase, ZINDO, B3LYP/6-31G* geometry), wavenumbers ?, oscillator strengths f, and difference ?� of dipole moment for the first two electronic transitions (states). Table S6: Main configurations (gas phase, TDDFT/B3LYP/6-31G*//B3LYP/6-31G*), wavenumbers ? and oscillator strengths f for the first few electronic transitions (states) of compounds 1?4, 16, 42 and 48?50. Table S7: ZINDO SOS results (wavelength ?max of first absorption band (f > 0.1), dipole moment �, and ?vec-values for compounds 1?51 in the gas phase. See http://www.rsc.org/suppdata/cp/b3/b314150k/

✍ Hrobarik, Peter; Zahradnik, Pavol; Fabian, Walter M. F. 📂 Article 📅 2004 🏛 Royal Society of Chemistry 🌐 English ⚖ 410 KB