Effects of mono- versus di-substitution of conjugating groups on the electronic structure of porphyrins
Mono- and adjacent-pyrrole disubstituted porphin dianions (substituents either formyl or vinyl groups) are examined with a semi-empirical SCF MO formalism (CNDO π SCF PSDCI) which includes extensive single and double CI. Calculations predict that the presence of the second conjugating group on an ad...
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| Autor*in: |
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
1986 |
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| Reproduktion: |
Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 |
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| Übergeordnetes Werk: |
in: Chemical Physics Letters - Amsterdam : Elsevier, 125(1986), 5-6, Seite 467-472 |
| Übergeordnetes Werk: |
volume:125 ; year:1986 ; number:5-6 ; pages:467-472 |
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NLEJ173671993 |
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| 520 | |a Mono- and adjacent-pyrrole disubstituted porphin dianions (substituents either formyl or vinyl groups) are examined with a semi-empirical SCF MO formalism (CNDO π SCF PSDCI) which includes extensive single and double CI. Calculations predict that the presence of the second conjugating group on an adjacent pyrrole ring enhances the asymmetry introduced by the first group and that the magnitude and orientation of the transition-dipole moments are strongly dependent on the substituent groups. | ||
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(DE-627)NLEJ173671993 (DE-599)GBVNLZ173671993 DE-627 ger DE-627 rakwb eng Effects of mono- versus di-substitution of conjugating groups on the electronic structure of porphyrins 1986 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Mono- and adjacent-pyrrole disubstituted porphin dianions (substituents either formyl or vinyl groups) are examined with a semi-empirical SCF MO formalism (CNDO π SCF PSDCI) which includes extensive single and double CI. Calculations predict that the presence of the second conjugating group on an adjacent pyrrole ring enhances the asymmetry introduced by the first group and that the magnitude and orientation of the transition-dipole moments are strongly dependent on the substituent groups. Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 Bocian, D.F. oth Masthay, M.B. oth Birge, R.R. oth in Chemical Physics Letters Amsterdam : Elsevier 125(1986), 5-6, Seite 467-472 (DE-627)NLEJ17363009X (DE-600)1466293-0 0009-2614 nnns volume:125 year:1986 number:5-6 pages:467-472 http://linkinghub.elsevier.com/retrieve/pii/0009-2614(86)87081-6 GBV_USEFLAG_H ZDB-1-SDJ GBV_NL_ARTICLE AR 125 1986 5-6 467-472 |
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(DE-627)NLEJ173671993 (DE-599)GBVNLZ173671993 DE-627 ger DE-627 rakwb eng Effects of mono- versus di-substitution of conjugating groups on the electronic structure of porphyrins 1986 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Mono- and adjacent-pyrrole disubstituted porphin dianions (substituents either formyl or vinyl groups) are examined with a semi-empirical SCF MO formalism (CNDO π SCF PSDCI) which includes extensive single and double CI. Calculations predict that the presence of the second conjugating group on an adjacent pyrrole ring enhances the asymmetry introduced by the first group and that the magnitude and orientation of the transition-dipole moments are strongly dependent on the substituent groups. Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 Bocian, D.F. oth Masthay, M.B. oth Birge, R.R. oth in Chemical Physics Letters Amsterdam : Elsevier 125(1986), 5-6, Seite 467-472 (DE-627)NLEJ17363009X (DE-600)1466293-0 0009-2614 nnns volume:125 year:1986 number:5-6 pages:467-472 http://linkinghub.elsevier.com/retrieve/pii/0009-2614(86)87081-6 GBV_USEFLAG_H ZDB-1-SDJ GBV_NL_ARTICLE AR 125 1986 5-6 467-472 |
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(DE-627)NLEJ173671993 (DE-599)GBVNLZ173671993 DE-627 ger DE-627 rakwb eng Effects of mono- versus di-substitution of conjugating groups on the electronic structure of porphyrins 1986 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Mono- and adjacent-pyrrole disubstituted porphin dianions (substituents either formyl or vinyl groups) are examined with a semi-empirical SCF MO formalism (CNDO π SCF PSDCI) which includes extensive single and double CI. Calculations predict that the presence of the second conjugating group on an adjacent pyrrole ring enhances the asymmetry introduced by the first group and that the magnitude and orientation of the transition-dipole moments are strongly dependent on the substituent groups. Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 Bocian, D.F. oth Masthay, M.B. oth Birge, R.R. oth in Chemical Physics Letters Amsterdam : Elsevier 125(1986), 5-6, Seite 467-472 (DE-627)NLEJ17363009X (DE-600)1466293-0 0009-2614 nnns volume:125 year:1986 number:5-6 pages:467-472 http://linkinghub.elsevier.com/retrieve/pii/0009-2614(86)87081-6 GBV_USEFLAG_H ZDB-1-SDJ GBV_NL_ARTICLE AR 125 1986 5-6 467-472 |
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(DE-627)NLEJ173671993 (DE-599)GBVNLZ173671993 DE-627 ger DE-627 rakwb eng Effects of mono- versus di-substitution of conjugating groups on the electronic structure of porphyrins 1986 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Mono- and adjacent-pyrrole disubstituted porphin dianions (substituents either formyl or vinyl groups) are examined with a semi-empirical SCF MO formalism (CNDO π SCF PSDCI) which includes extensive single and double CI. Calculations predict that the presence of the second conjugating group on an adjacent pyrrole ring enhances the asymmetry introduced by the first group and that the magnitude and orientation of the transition-dipole moments are strongly dependent on the substituent groups. Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 Bocian, D.F. oth Masthay, M.B. oth Birge, R.R. oth in Chemical Physics Letters Amsterdam : Elsevier 125(1986), 5-6, Seite 467-472 (DE-627)NLEJ17363009X (DE-600)1466293-0 0009-2614 nnns volume:125 year:1986 number:5-6 pages:467-472 http://linkinghub.elsevier.com/retrieve/pii/0009-2614(86)87081-6 GBV_USEFLAG_H ZDB-1-SDJ GBV_NL_ARTICLE AR 125 1986 5-6 467-472 |
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(DE-627)NLEJ173671993 (DE-599)GBVNLZ173671993 DE-627 ger DE-627 rakwb eng Effects of mono- versus di-substitution of conjugating groups on the electronic structure of porphyrins 1986 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Mono- and adjacent-pyrrole disubstituted porphin dianions (substituents either formyl or vinyl groups) are examined with a semi-empirical SCF MO formalism (CNDO π SCF PSDCI) which includes extensive single and double CI. Calculations predict that the presence of the second conjugating group on an adjacent pyrrole ring enhances the asymmetry introduced by the first group and that the magnitude and orientation of the transition-dipole moments are strongly dependent on the substituent groups. Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 Bocian, D.F. oth Masthay, M.B. oth Birge, R.R. oth in Chemical Physics Letters Amsterdam : Elsevier 125(1986), 5-6, Seite 467-472 (DE-627)NLEJ17363009X (DE-600)1466293-0 0009-2614 nnns volume:125 year:1986 number:5-6 pages:467-472 http://linkinghub.elsevier.com/retrieve/pii/0009-2614(86)87081-6 GBV_USEFLAG_H ZDB-1-SDJ GBV_NL_ARTICLE AR 125 1986 5-6 467-472 |
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effects of mono- versus di-substitution of conjugating groups on the electronic structure of porphyrins |
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Effects of mono- versus di-substitution of conjugating groups on the electronic structure of porphyrins |
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Mono- and adjacent-pyrrole disubstituted porphin dianions (substituents either formyl or vinyl groups) are examined with a semi-empirical SCF MO formalism (CNDO π SCF PSDCI) which includes extensive single and double CI. Calculations predict that the presence of the second conjugating group on an adjacent pyrrole ring enhances the asymmetry introduced by the first group and that the magnitude and orientation of the transition-dipole moments are strongly dependent on the substituent groups. |
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Mono- and adjacent-pyrrole disubstituted porphin dianions (substituents either formyl or vinyl groups) are examined with a semi-empirical SCF MO formalism (CNDO π SCF PSDCI) which includes extensive single and double CI. Calculations predict that the presence of the second conjugating group on an adjacent pyrrole ring enhances the asymmetry introduced by the first group and that the magnitude and orientation of the transition-dipole moments are strongly dependent on the substituent groups. |
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Mono- and adjacent-pyrrole disubstituted porphin dianions (substituents either formyl or vinyl groups) are examined with a semi-empirical SCF MO formalism (CNDO π SCF PSDCI) which includes extensive single and double CI. Calculations predict that the presence of the second conjugating group on an adjacent pyrrole ring enhances the asymmetry introduced by the first group and that the magnitude and orientation of the transition-dipole moments are strongly dependent on the substituent groups. |
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