Excitation Energies and Properties of Open-Shell Singlet Molecules: Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission
This brief investigates the diradical character, which is one of the ground-state chemical indices for "bond weakness" or "electron correlation" and which allows researchers to explore the origins of the electron-correlation-driven physico-chemical phenomena concerned with electr...
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| Main Author: | |
|---|---|
| Format: | Electronic eBook |
| Language: | English |
| Published: |
Cham [u.a.]
Springer
2014
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| Series: | SpringerBriefs in Molecular Science
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| Subjects: | |
| Online Access: | UBT01 Volltext Inhaltsverzeichnis Abstract |
| Summary: | This brief investigates the diradical character, which is one of the ground-state chemical indices for "bond weakness" or "electron correlation" and which allows researchers to explore the origins of the electron-correlation-driven physico-chemical phenomena concerned with electronic, optical and magnetic properties as well as to control them in the broad fields of physics and chemistry. It then provides the theoretical fundamentals of ground and excited electronic structures of symmetric and asymmetric open-shell molecular systems by using model molecular systems. Moreover, it presents the theoretical design guidelines for a new class of open-shell singlet molecular systems for nonlinear optics (NLO) and singlet fission |
| Physical Description: | 1 Online-Ressource |
| ISBN: | 9783319081205 |
| DOI: | 10.1007/978-3-319-08120-5 |
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| 520 | 1 | |a This brief investigates the diradical character, which is one of the ground-state chemical indices for "bond weakness" or "electron correlation" and which allows researchers to explore the origins of the electron-correlation-driven physico-chemical phenomena concerned with electronic, optical and magnetic properties as well as to control them in the broad fields of physics and chemistry. It then provides the theoretical fundamentals of ground and excited electronic structures of symmetric and asymmetric open-shell molecular systems by using model molecular systems. Moreover, it presents the theoretical design guidelines for a new class of open-shell singlet molecular systems for nonlinear optics (NLO) and singlet fission | |
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Record in the Search Index
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| adam_text | EXCITATION ENERGIES AND PROPERTIES OF OPEN-SHELL SINGLET MOLECULES
/ NAKANO, MASAYOSHI
: 2014
TABLE OF CONTENTS / INHALTSVERZEICHNIS
INTRODUCTION
ELECTRONIC STRUCTURES OF SYMMETRIC DIRADICAL SYSTEMS
ELECTRONIC STRUCTURES OF ASYMMETRIC DIRADICAL SYSTEMS
DIRADICAL CHARACTER VIEW OF (NON)LINEAR OPTICAL PROPERTIES
DIRADICAL CHARACTER VIEW OF SINGLET FISSION
SUMMARY
DIESES SCHRIFTSTUECK WURDE MASCHINELL ERZEUGT.
EXCITATION ENERGIES AND PROPERTIES OF OPEN-SHELL SINGLET MOLECULES
/ NAKANO, MASAYOSHI
: 2014
ABSTRACT / INHALTSTEXT
THIS BRIEF INVESTIGATES THE DIRADICAL CHARACTER, WHICH IS ONE OF THE
GROUND-STATE CHEMICAL INDICES FOR BOND WEAKNESS OR ELECTRON
CORRELATION AND WHICH ALLOWS RESEARCHERS TO EXPLORE THE ORIGINS OF THE
ELECTRON-CORRELATION-DRIVEN PHYSICO-CHEMICAL PHENOMENA CONCERNED WITH
ELECTRONIC, OPTICAL AND MAGNETIC PROPERTIES AS WELL AS TO CONTROL THEM
IN THE BROAD FIELDS OF PHYSICS AND CHEMISTRY. IT THEN PROVIDES THE
THEORETICAL FUNDAMENTALS OF GROUND AND EXCITED ELECTRONIC STRUCTURES OF
SYMMETRIC AND ASYMMETRIC OPEN-SHELL MOLECULAR SYSTEMS BY USING MODEL
MOLECULAR SYSTEMS. MOREOVER, IT PRESENTS THE THEORETICAL DESIGN
GUIDELINES FOR A NEW CLASS OF OPEN-SHELL SINGLET MOLECULAR SYSTEMS FOR
NONLINEAR OPTICS (NLO) AND SINGLET FISSION
DIESES SCHRIFTSTUECK WURDE MASCHINELL ERZEUGT.
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| spelling | Nakano, Masayoshi Verfasser aut Excitation Energies and Properties of Open-Shell Singlet Molecules Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission Masayoshi Nakano Cham [u.a.] Springer 2014 1 Online-Ressource txt rdacontent c rdamedia cr rdacarrier SpringerBriefs in Molecular Science This brief investigates the diradical character, which is one of the ground-state chemical indices for "bond weakness" or "electron correlation" and which allows researchers to explore the origins of the electron-correlation-driven physico-chemical phenomena concerned with electronic, optical and magnetic properties as well as to control them in the broad fields of physics and chemistry. It then provides the theoretical fundamentals of ground and excited electronic structures of symmetric and asymmetric open-shell molecular systems by using model molecular systems. Moreover, it presents the theoretical design guidelines for a new class of open-shell singlet molecular systems for nonlinear optics (NLO) and singlet fission aChemistry aChemistry, Physical organic aOptical materials Erscheint auch als Druckausgabe 978-3-319-08119-9 https://doi.org/10.1007/978-3-319-08120-5 Verlag Volltext Springer Fremddatenuebernahme application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027497433&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis Springer Fremddatenuebernahme application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027497433&sequence=000003&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA Abstract |
| spellingShingle | Nakano, Masayoshi Excitation Energies and Properties of Open-Shell Singlet Molecules Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission aChemistry aChemistry, Physical organic aOptical materials |
| title | Excitation Energies and Properties of Open-Shell Singlet Molecules Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission |
| title_auth | Excitation Energies and Properties of Open-Shell Singlet Molecules Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission |
| title_exact_search | Excitation Energies and Properties of Open-Shell Singlet Molecules Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission |
| title_full | Excitation Energies and Properties of Open-Shell Singlet Molecules Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission Masayoshi Nakano |
| title_fullStr | Excitation Energies and Properties of Open-Shell Singlet Molecules Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission Masayoshi Nakano |
| title_full_unstemmed | Excitation Energies and Properties of Open-Shell Singlet Molecules Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission Masayoshi Nakano |
| title_short | Excitation Energies and Properties of Open-Shell Singlet Molecules |
| title_sort | excitation energies and properties of open shell singlet molecules applications to a new class of molecules for nonlinear optics and singlet fission |
| title_sub | Applications to a New Class of Molecules for Nonlinear Optics and Singlet Fission |
| topic | aChemistry aChemistry, Physical organic aOptical materials |
| topic_facet | aChemistry aChemistry, Physical organic aOptical materials |
| url | https://doi.org/10.1007/978-3-319-08120-5 http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027497433&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=027497433&sequence=000003&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA |
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