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Volumn 13, Issue 11, 2010, Pages 1317-1320

Tricarbonyl rhenium complex of 2,2′-bis(4,5-dimethylimidazole) - Synthesis, spectroscopic characterization, X-ray structure and DFT calculations

Author keywords

2,2 bis(4,5 dimethylimidazole); DFT and TDDFT calculations; Rhenium(I) carbonyl complexes; UV Vis spectrum; X ray structure

Indexed keywords


EID: 77956910132     PISSN: 13877003     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.inoche.2010.07.025     Document Type: Article
Times cited : (15)

References (33)
  • 14
    • 77956907867 scopus 로고    scopus 로고
    • note
    • 3ClRe: C, 31.48; H, 2.85; N, 11.30%. Found: C, 31.62; H, 2.93; N, 11.68%.
  • 15
    • 77956941106 scopus 로고    scopus 로고
    • note
    • - 1 with the samples in the form of KBr pellets.
  • 18
    • 77956912899 scopus 로고    scopus 로고
    • note
    • -1; data/restraints/parameters: 2756/0/203; S = 0.910; final R indices [I > 2σ(I)] R1 = 0.0224, wR2 = 0.0512; R indices (all data) R1 = 0.0359, wR = 0.0532.
  • 19
    • 0003653494 scopus 로고    scopus 로고
    • Oxford University Press D A HA DA D-HA N(2) Cl(1) #1 2.45 3.220(4) 150.1 N(4) Cl(1)#1 2.50 3.262(4) 148.3 C(10) O(2)#2 2.54 3.451(6) 159.3 C(13) O(1) #3 2.42 3.360(7) 166.6 #1: - x, 2 - y, - z; #2: - x, 1 - y, - z; #3: 1 - x, 1/2 + y,1/2 - z
    • G. R. Desiraju, T. Steiner, The Weak Hydrogen Bond in Structural Chemistry and Biology, Oxford University Press, (1999). D A HA DA D-HA N(2) Cl(1) #1 2.45 3.220(4) 150.1 N(4) Cl(1)#1 2.50 3.262(4) 148.3 C(10) O(2)#2 2.54 3.451(6) 159.3 C(13) O(1) #3 2.42 3.360(7) 166.6 #1: - x, 2 - y, - z; #2: - x, 1 - y, - z; #3: 1 - x, 1/2 + y,1/2 - z.
    • (1999) The Weak Hydrogen Bond in Structural Chemistry and Biology
    • Desiraju, G.R.1    Steiner, T.2
  • 25
    • 77956922984 scopus 로고    scopus 로고
    • note
    • Calculated bond lengths [Å]: Re(1)-C(1) 1.920; Re(1)-C(2) 1.911; Re(1)-C(3) 1.920; Re(1)-N(1) 2.243; Re(1)-N(3) 2.243; Re(1)-Cl(1) 2.541; C(1)-O(1) 1.162; C(2)-O(2) 1.168; C(3)-O(3) 1.162. Calculated bond angles [°]: C(2)-Re(1)-C(1) 91.23; C(3)-Re(1)-C(1) 88.66; C(3)-Re(1)-C(2) 91.22; C(1)-Re(1)-N(1) 171.19; C(2)-Re(1)-N(1) 93.90; C(3)-Re(1)-N(1) 98.37; C(1)-Re(1)-N(3) 98.38; C(2)-Re(1)-N(3) 93.91; C(3)-Re(1)-N(3) 171.20; N(1)-Re(1)-N(3) 74.15; C(1)-Re(1)-Cl(1) 92.16; C(2)-Re(1)-Cl(1) 175.26; C(3)-Re(1)-Cl(1) 92.17; N(1)-Re(1)-Cl(1) 82.33; N(3)-Re(1)-Cl(1) 82.32.
  • 26
    • 77956911065 scopus 로고    scopus 로고
    • note
    • Electronic spectra were measured on a spectrophotometer Lab Alliance UV-VIS/8500 in the range 1000-200 nm in methanol solution.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.