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Determination of the ground state,excited state and change in dipole moments of magnesium and zinc chlorin
Authors:Singh Amarnauth  Huang Wen-Ying  Johnson Lawrence W
Institution:1. Molecular Photonics Laboratory, School of Natural and Environmental Sciences, Bedson Building, Newcastle University, Newcastle upon Tyne NE1 7RU, United Kingdom;2. NMR Laboratory, School of Natural and Environmental Sciences, Bedson Building, Newcastle University, Newcastle upon Tyne NE1 7RU, United Kingdom;3. School of Natural and Environmental Sciences, Bedson Building, Newcastle University, Newcastle upon Tyne NE1 7RU, United Kingdom;1. Institute for Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Russia;2. Dmitry Mendeleev University of Chemical Technology of Russia, Moscow, Russia;3. Faculty of Chemistry, University of Warsaw, Warsaw, Poland;4. ICMUB, UMR 6302 CNRS-Université de Bourgogne-Franche-Comté, Dijon, France;5. ICB, UMR 6303 CNRS-Université de Bourgogne-Franche-Comté, Dijon, France;6. M. V. Lomonosov Moscow State University, Moscow, Russia
Abstract:High-resolution Stark effect measurements on the S1 <-- S0 (pi pi*) origin of magnesium chlorin (MgCh) and zinc chlorin (ZnCh) in single crystals of n-octane at 4.2 K are reported. The corresponding change in dipole moment (absolute value(delta mu(ge))) associated with each transition was estimated to be 0.23 +/- 0.04 and 0.27 +/- 0.05 debye, respectively. Each molecule's orientation in the n-octane crystal was also determined. The change in dipole moment of MgCh was also found using solvatochromic shift data (absolute value(delta mu(ge))) = 0.33 +/- 0.08 debye). The ground state dipole moment (mu(g)) of MgCh was determined by dielectric constant measurement of MgCh/benzene solutions (mu(g) = 2.26 +/- 0.08 debye). These were combined to calculate the average excited state dipole moment of MgCh (mu(e) = 2.51 +/- 0.08 debye). The ground state dipole moment of ZnCh was also determined using solvatochromic shift data (mu(g) = 3.17 +/- 0.08 debye). This was combined with its measured absolute value(delta mu(ge)) to calculate the excited state dipole moment of ZnCh (mu(e) = 3.44 +/- 0.08 debye); the S1 <-- S0 (pi pi*) origin band of both complexes was red-shifted at room temperature as the polarity of the solvents was increased, which implies that delta mu(ge) is positive.
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