PMID- 30351103
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20181108
LR  - 20181108
IS  - 1520-5215 (Electronic)
IS  - 1089-5639 (Linking)
VI  - 122
IP  - 44
DP  - 2018 Nov 8
TI  - Influence of Charge Distribution on Structural Changes of Aromatic Imide 
      Derivatives upon One-Electron Reduction Revealed by Time-Resolved Resonance Raman 
      Spectroscopy during Pulse Radiolysis.
PG  - 8738-8744
LID - 10.1021/acs.jpca.8b08310 [doi]
AB  - Structural changes of aromatic imides upon one-electron reduction are 
      investigated by time-resolved resonance Raman spectroscopy during pulse 
      radiolysis. Significant downshifts are observed for both the aromatic ring 
      stretching and carbonyl stretching modes, which are related to a reduction of the 
      bond order and increase of the charge density on these moieties. For three 
      aromatic imides, i.e., 1,8-naphthalene imide (1,8-NI), 2,3-naphthalene imide 
      (2,3-NI), and naphthalene diimide (NDI), the extent of structural changes is 
      found to follow the order: 2,3-NI > 1,8-NI > NDI, reflecting the influence of 
      charge distribution on molecular structure. To further investigate this 
      phenomenon, a series of homologous NDI derivatives with a substituted phenyl 
      group at the imide position are studied. The Raman peaks between 1550 and 1600 
      cm(-1), which are assigned to aromatic stretching vibrations of the NDI 
      moieties, are found to be sensitive to the charge distribution: stronger 
      electron-withdrawing substituents result in these peaks shifting to slightly 
      higher wavenumbers. As supported by a spin density analysis, despite the fact 
      that the added charge is mostly localized on the NDI moiety, in the presence of 
      an electron-withdrawing group, the subtle charge is likely to delocalize on the 
      phenyl fragment, alleviating the effect of one-electron reduction on the 
      molecular structure.
FAU - Zhuang, Bo
AU  - Zhuang B
AUID- ORCID: 0000-0002-9906-1190
AD  - The Institute of Scientific and Industrial Research (SANKEN) , Osaka University , 
      Mihogaoka 8-1 , Ibaraki , Osaka 567-0047 , Japan.
FAU - Fujitsuka, Mamoru
AU  - Fujitsuka M
AUID- ORCID: 0000-0002-2336-4355
AD  - The Institute of Scientific and Industrial Research (SANKEN) , Osaka University , 
      Mihogaoka 8-1 , Ibaraki , Osaka 567-0047 , Japan.
FAU - Tojo, Sachiko
AU  - Tojo S
AD  - The Institute of Scientific and Industrial Research (SANKEN) , Osaka University , 
      Mihogaoka 8-1 , Ibaraki , Osaka 567-0047 , Japan.
FAU - Cho, Dae Won
AU  - Cho DW
AUID- ORCID: 0000-0002-4785-069X
AD  - The Institute of Scientific and Industrial Research (SANKEN) , Osaka University , 
      Mihogaoka 8-1 , Ibaraki , Osaka 567-0047 , Japan.
AD  - Department of Advanced Materials Chemistry , Korea University , Sejong Campus, 
      Sejong 339-700 , Republic of Korea.
FAU - Choi, Jungkweon
AU  - Choi J
AUID- ORCID: 0000-0002-9979-305X
AD  - The Institute of Scientific and Industrial Research (SANKEN) , Osaka University , 
      Mihogaoka 8-1 , Ibaraki , Osaka 567-0047 , Japan.
AD  - Center for Nanomaterials and Chemical Reactions , Institute for Basic Science 
      (IBS) , Daejeon 305-701 , Republic of Korea.
FAU - Majima, Tetsuro
AU  - Majima T
AUID- ORCID: 0000-0003-1805-1677
AD  - The Institute of Scientific and Industrial Research (SANKEN) , Osaka University , 
      Mihogaoka 8-1 , Ibaraki , Osaka 567-0047 , Japan.
LA  - eng
PT  - Journal Article
DEP - 20181026
PL  - United States
TA  - J Phys Chem A
JT  - The journal of physical chemistry. A
JID - 9890903
EDAT- 2018/10/24 06:00
MHDA- 2018/10/24 06:01
CRDT- 2018/10/24 06:00
PHST- 2018/10/24 06:00 [pubmed]
PHST- 2018/10/24 06:01 [medline]
PHST- 2018/10/24 06:00 [entrez]
AID - 10.1021/acs.jpca.8b08310 [doi]
PST - ppublish
SO  - J Phys Chem A. 2018 Nov 8;122(44):8738-8744. doi: 10.1021/acs.jpca.8b08310. Epub 
      2018 Oct 26.