Collect. Czech. Chem. Commun.
1962, 27, 599-618
https://doi.org/10.1135/cccc19620599
Quantum chemical study of transannular interaction. I. Model of (n,n) paracyclophanes not consideing the benzene rings distortion
J. Koutecký and J. Paldus
Crossref Cited-by Linking
- Miyata Kiyoshi, Conrad-Burton Felisa S., Geyer Florian L., Zhu X.-Y.: Triplet Pair States in Singlet Fission. Chem. Rev. 2019, 119, 4261. <https://doi.org/10.1021/acs.chemrev.8b00572>
- Trinh M. Tuan, Pinkard Andrew, Pun Andrew B., Sanders Samuel N., Kumarasamy Elango, Sfeir Matthew Y., Campos Luis M., Roy Xavier, Zhu X.-Y.: Distinct properties of the triplet pair state from singlet fission. Sci. Adv. 2017, 3. <https://doi.org/10.1126/sciadv.1700241>
- Dodziuk H., Vetokhina V., Hopf H., Luboradzki R., Gaweł P., Waluk J.: Electronic states of cyclophanes with small bridges. The Journal of Chemical Physics 2012, 136. <https://doi.org/10.1063/1.3683454>
- Ohkita Hideo, Ito Shinzaburo, Yamamoto Masahide, Tohda Yasuo, Tani Keita: Intramolecular Excimer Emissions of syn- and anti-[3.3](3,9)Carbazolophanes in Solutions. J. Phys. Chem. A 2002, 106, 2140. <https://doi.org/10.1021/jp0125146>
- Ricciardi G., Rosa A., van Gisbergen S. J. A., Baerends E. J.: A Density Functional Study of the Optical Spectra and Nonlinear Optical Properties of Heteroleptic Tetrapyrrole Sandwich Complexes: The Porphyrinato−Porphyrazinato−Zirconium(IV) Complex as a Case Study. J. Phys. Chem. A 2000, 104, 635. <https://doi.org/10.1021/jp9929216>
- Scholes Gregory D., Gould Ian R., Cogdell Richard J., Fleming Graham R.: Ab Initio Molecular Orbital Calculations of Electronic Couplings in the LH2 Bacterial Light-Harvesting Complex of Rps. Acidophila. J. Phys. Chem. B 1999, 103, 2543. <https://doi.org/10.1021/jp9839753>
- Kataoka Masahiro: BOND DISTORTIONS IN THE RADICAL IONS OF SOME DOUBLE-LAYER NON-BENZENOID PHANES. J. Phys. Org. Chem. 1997, 10, 85. <https://doi.org/10.1002/(SICI)1099-1395(199702)10:2<85::AID-POC861>3.0.CO;2-E>
- Li Xiangzhu, Paldus Josef: Bond length alternation in cyclic polyenes. VII. Valence bond theory approach. Int. J. Quantum Chem. 1996, 60, 513. <https://doi.org/10.1002/(SICI)1097-461X(1996)60:1<513::AID-QUA50>3.0.CO;2-8>
- Kataoka Masahiro: Bond alternation in double-layer [18]annulenophane. Journal of Molecular Structure: THEOCHEM 1996, 370, 51. <https://doi.org/10.1016/S0166-1280(96)04671-4>
- Wittmer Lisa L., Holten Dewey: Photophysics of Lanthanide Triple Decker Porphyrin Sandwich Complexes. J. Phys. Chem. 1996, 100, 860. <https://doi.org/10.1021/jp952614+>
- Priyadarshy S., Risser S. M., Beratan D. N.: DNA Is Not a Molecular Wire: Protein-like Electron-Transfer Predicted for an Extended π-Electron System. J. Phys. Chem. 1996, 100, 17678. <https://doi.org/10.1021/jp961731h>
- Scholes Gregory D.: Energy Transfer and Spectroscopic Characterization of Multichromophoric Assemblies. J. Phys. Chem. 1996, 100, 18731. <https://doi.org/10.1021/jp961784z>
- Harcourt Richard D., Scholes Gregory D., Ghiggino Kenneth P.: Rate expressions for excitation transfer. II. Electronic considerations of direct and through–configuration exciton resonance interactions. The Journal of Chemical Physics 1994, 101, 10521. <https://doi.org/10.1063/1.467869>
- Ilich P., Prendergast F. G.: Protein: Nucleic acid interactions. I. Electronic structures of cytosine, indole, and guanine complexes. Biopolymers 1992, 32, 667. <https://doi.org/10.1002/bip.360320609>
- Paldus Josef, Li Xiangzhu: PPP‐VB Theory of π‐Electron Systems: Electron Delocalization, Molecular Symmetry, and Resonance. Israel Journal of Chemistry 1991, 31, 351. <https://doi.org/10.1002/ijch.199100040>
- Čížek J., Paldus J., Vinette F.: Explicit algebraic form of coupled cluster equations for the PPP model of benzene with an approximate inclusion of triexcited clusters. Int J of Quantum Chemistry 1990, 38, 831. <https://doi.org/10.1002/qua.560380606>
- Eriksson S., Källebring B., Larsson S., Mårtensson J., Wennerström O.: Exciton splitting in the spectra of covalently linked porphyrins. Chemical Physics 1990, 146, 165. <https://doi.org/10.1016/0301-0104(90)90015-2>
- Canuto Sylvio, Zerner Michael C.: On the inter-ring separation of the lowest excited and ionized states of [2.2]paracyclophane. Chemical Physics Letters 1989, 157, 353. <https://doi.org/10.1016/0009-2614(89)87261-6>
- Wisor Antoni K., Czuchajowski Leszek: All-valence-electron and transition density matrix calculations of the electronic spectra of [2.2]paracyclophanequinones. Theoret. Chim. Acta 1988, 74, 445. <https://doi.org/10.1007/BF00528016>
- Czuchajowski Leszek, Wisor Antoni K.: Electronic structure of multilayered and multistepped cyclophanes. Journal of Molecular Structure: THEOCHEM 1988, 165, 163. <https://doi.org/10.1016/0166-1280(88)87014-3>
- Paldus J., Chin E.: Bond length alternation in cyclic polyenes. I. Restricted Hartree–Fock method. Int J of Quantum Chemistry 1983, 24, 373. <https://doi.org/10.1002/qua.560240405>
- Spanget-Larsen Jens: Electronic states of the [2 n ]cyclophanes. Theoret. Chim. Acta 1983, 64, 187. <https://doi.org/10.1007/BF00551396>
- Vogler H.: [2.2]Paracyclophane: theoretical study of its lower excited states and of the zero-field splitting parameters D. Molecular Physics 1982, 47, 1179. <https://doi.org/10.1080/00268978200100872>
- Kovač Branka, Allan Michael, Heilbronner Edgar: ‘Through Space’ and ‘Through Bond’ Interactions in [2.2]Cyclopanes; the Assignment of their Photoelectron Spectra. Helvetica Chimica Acta 1981, 64, 430. <https://doi.org/10.1002/hlca.19810640208>
- Ferguson James: Electronic spectroscopy of [2n](9,10)anthracenophanes and the “excimer” conformation of di(9-anthryl)methane. Effect of orbital overlap on the 1La and 1Lb states of anthracene. Chemical Physics Letters 1981, 79, 198. <https://doi.org/10.1016/0009-2614(81)80186-8>
- Pietrzycki Władysław, Tomasik Piotr, Sucharda-Sobczyk Anna: Mono-excited singlet states and conformation of some acylpyridines. Journal of Molecular Structure 1981, 73, 49. <https://doi.org/10.1016/0022-2860(81)85045-4>
- Pietrzycki Władysław, Tomasik Piotr, Sucharda-Sobczyk Anna: Monoexcited singlet states and conformation of some acylpyridines. Journal of Molecular Structure 1981, 75, 141. <https://doi.org/10.1016/0022-2860(81)85228-3>
- Czuchajowski L., Pletrzycki W.: Transannular effects in (2.2) -paracyclophane as revealed by theoretical theortical treatment of the electronic spectra. Journal of Molecular Structure 1978, 47, 423. <https://doi.org/10.1016/0022-2860(78)87211-1>
- Bieber A., Andre J.J.: Electronic spectra of dimers of TMPD, CA and TCNQ. Chemical Physics 1975, 7, 137. <https://doi.org/10.1016/0301-0104(75)85034-8>
- Duke C. B., Lipari N. O., Salaneck W. R., Schein L. B.: The electronic structure of 1,2‐di(p‐tolyl)ethane and of pure and substituted [2.2]paracyclophane. The Journal of Chemical Physics 1975, 63, 1758. <https://doi.org/10.1063/1.431572>
- Heilbronner Edgar, Maier John P.: Consequences of Substitution in the Photoelectron Spectra of [2, 2]Paracyclophanes: Separation of ‘through‐space’ and ‘through‐bond’ interactions as a consequence of fluorosubstitution. Helvetica Chimica Acta 1974, 57, 151. <https://doi.org/10.1002/hlca.19740570113>
- Zunger Alex: Semiempirical LCAO calculations of electronic and dynamical properties of α and γ nitrogen crystals and nitrogen aggregates. Molecular Physics 1974, 28, 713. <https://doi.org/10.1080/00268977400102091>
- Iwata Suehiro, Fuke Kiyokazu, Sasaki Michiko, Nagakura Saburo, Otsubo Tetsuo, Misumi Soichi: Electronic spectra and electronic structures of [2.2]paracyclophane and related compounds. Journal of Molecular Spectroscopy 1973, 46, 1. <https://doi.org/10.1016/0022-2852(73)90022-2>
- Boekelheide V., Schmidt W.: A photoelectron spectroscopic study of a classically conjugated but orbitally unconjugated tris-bridged cyclophane: [2.2.2.](1,3,5) cyclophane-1,9,17-triene. Chemical Physics Letters 1972, 17, 410. <https://doi.org/10.1016/0009-2614(72)87109-4>
- Hush N.S., Woolsey I.S.: The electronic absorption spectra of phthalocyanine monomers and dimers. Molecular Physics 1971, 21, 465. <https://doi.org/10.1080/00268977100101641>
- Hochstrasser Robin M., Malliaris Angelos: The Luminescence of the Pyrene-Perylene System: Evidence for Mixed Excimers in the Solid State. Molecular Crystals and Liquid Crystals 1970, 11, 331. <https://doi.org/10.1080/15421407008083525>
- Förster Th.: Excimere. Angewandte Chemie 1969, 81, 364. <https://doi.org/10.1002/ange.19690811004>
- Förster Th.: Excimers. Angew. Chem. Int. Ed. Engl. 1969, 8, 333. <https://doi.org/10.1002/anie.196903331>
- Gleiter Rolf: Consequences of σ-π-interaction in [2.2]-Paracyclophane. Tetrahedron Letters 1969, 10, 4453. <https://doi.org/10.1016/S0040-4039(01)88722-0>
- Chandra A. K., Lim E. C.: Semiempirical Theory of Excimer Luminescence. The Journal of Chemical Physics 1968, 48, 2589. <https://doi.org/10.1063/1.1669487>
- Sucre M. Garcia, Gény F., Lefebvre R.: Intensity Patterns in Absorption and Fluorescence Spectra of Molecular Dimers: A Comparison between the Vibronic and the Born–Oppenheimer Approach. The Journal of Chemical Physics 1968, 49, 458. <https://doi.org/10.1063/1.1669845>
- Hèlène Claude, Michelson A.M.: Étude de la luminescence à basse température des nucléotides et des dinucléotides. Biochimica et Biophysica Acta (BBA) - Nucleic Acids and Protein Synthesis 1967, 142, 12. <https://doi.org/10.1016/0005-2787(67)90511-4>
- Mataga N., Torishashi Y., Ota Y.: Studies on the fluorescence decay times of anthracene and perylene excimers in rigid matrices at low temperatures in relation to the structures of excimers. Chemical Physics Letters 1967, 1, 385. <https://doi.org/10.1016/0009-2614(67)80043-5>
- Chandross Edwin A., Ferguson J.: Mixed Excimer Fluorescence; The Importance of Charge-Transfer Interaction. The Journal of Chemical Physics 1967, 47, 2557. <https://doi.org/10.1063/1.1712269>
- Pol�k Rudolf, Paldus Josef: Generalized H�ckel treatment of a simple model of transannular interaction and excimer formation. Theoret. Chim. Acta 1966, 4, 37. <https://doi.org/10.1007/BF00526009>
- Vala Martin T., Hillier Ian H., Rice Stuart A., Jortner Joshua: Theoretical Studies of Transannular Interactions. I. Benzene Excimer Fluorescence and the Singlet States of the Paracyclophanes. The Journal of Chemical Physics 1966, 44, 23. <https://doi.org/10.1063/1.1726452>
- Chandross Edwin A., Ferguson J.: Absorption and Fluorescence of Sandwich Dimers. Theory of the Excimer State. The Journal of Chemical Physics 1966, 45, 397. <https://doi.org/10.1063/1.1727343>
- Chandross Edwin A., Ferguson J., McRae E. G.: Absorption and Emission Spectra of Anthracene Dimers. The Journal of Chemical Physics 1966, 45, 3546. <https://doi.org/10.1063/1.1727371>
- Chandross Edwin A., Ferguson J.: Absorption and Excimer Fluorescence Spectra of Sandwich Dimers of Substituted Anthracenes. The Journal of Chemical Physics 1966, 45, 3554. <https://doi.org/10.1063/1.1727372>
- Kouteck� J., Paldus J.: A study of interaction of two ethylene molecules by the semiempirical complete configuration interaction method in ?-electron approximation. Theoret. Chim. Acta 1963, 1, 268. <https://doi.org/10.1007/BF00526879>