PMID- 23153015
OWN - NLM
STAT- MEDLINE
DCOM- 20130513
LR  - 20151119
IS  - 1520-510X (Electronic)
IS  - 0020-1669 (Linking)
VI  - 51
IP  - 23
DP  - 2012 Dec 3
TI  - Diimine triscarbonyl Re(I) of isomeric pyridyl-fulvene ligands: an 
      electrochemical, spectroscopic, and computational investigation.
PG  - 12738-47
LID - 10.1021/ic301559s [doi]
AB  - The synthesis and characterization of a novel family of positively charged 
      fac-[Re(bpy)(CO)(3)(L)]PF(6) (bpy = 2,2'-bipyridine) complexes are reported, 
      where L is a pyridine functionalized in para or meta position with a fulvene 
      moiety, namely, 4-fluoren-9-ylidenemethyl-pyridine (pFpy) and 
      3-fluoren-9-ylidenemethyl-pyridine (mFpy). The complexes were prepared in high 
      yield (86%) by direct addition at room temperature of the corresponding pyridine 
      to the tetrahydrofuran (THF) adduct fac-[Re(bpy)(CO)(3)(THF)][PF(6)] precursor. 
      Both ligand and complex structures were fully characterized by a variety of 
      techniques including X-ray crystallography. The complexes did not exhibit the 
      expected triplet mixed metal-ligand-to-ligand charge transfer (MLLCT) emission, 
      because of its deactivation by the non-emissive triplet excited state of fulvene. 
      The absorption profile shows that the MLLCT is overshadowed by the fulvene 
      centered pi-pi* transition of higher molar absorptivity as shown by time dependent 
      density functional theory (TD-DFT) calculations. The position of the fulvene on 
      the pyridyl ring has a large effect on this transition, the para position 
      displaying a much higher absorption coefficient (21.3 x 10(3) M(-1) cm(-1)) at 
      lower energy (364 nm) than the meta position (331 nm, 16.0 x 10(3) M(-1) cm(-1)).
FAU - Chartrand, Daniel
AU  - Chartrand D
AD  - Department of Chemistry, Universite de Montreal, Montreal, Quebec H3T 1J4, 
      Canada.
FAU - Castro Ruiz, Carlos A
AU  - Castro Ruiz CA
FAU - Hanan, Garry S
AU  - Hanan GS
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20121115
PL  - United States
TA  - Inorg Chem
JT  - Inorganic chemistry
JID - 0366543
RN  - 0 (Cyclopentanes)
RN  - 0 (Imines)
RN  - 0 (Ligands)
RN  - 0 (Organometallic Compounds)
RN  - 19W699IKIE (fulvene)
RN  - 551W113ZEP (2,2'-Dipyridyl)
RN  - 7440-15-5 (Rhenium)
SB  - IM
MH  - 2,2'-Dipyridyl/*chemistry
MH  - Crystallography, X-Ray
MH  - Cyclopentanes/*chemistry
MH  - Electrochemical Techniques
MH  - Imines/*chemistry
MH  - Ligands
MH  - Magnetic Resonance Spectroscopy
MH  - Models, Molecular
MH  - Molecular Structure
MH  - Organometallic Compounds/chemical synthesis/*chemistry
MH  - *Quantum Theory
MH  - Rhenium/*chemistry
MH  - Spectrophotometry, Ultraviolet
EDAT- 2012/11/17 06:00
MHDA- 2013/05/15 06:00
CRDT- 2012/11/17 06:00
PHST- 2012/11/17 06:00 [entrez]
PHST- 2012/11/17 06:00 [pubmed]
PHST- 2013/05/15 06:00 [medline]
AID - 10.1021/ic301559s [doi]
PST - ppublish
SO  - Inorg Chem. 2012 Dec 3;51(23):12738-47. doi: 10.1021/ic301559s. Epub 2012 Nov 15.