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Volumn 5, Issue 5, 1999, Pages 1590-1597

2h-imidazol-2-ylidene: New insights from a matrix-spectroscopic study

Author keywords

Carbenes; Heterocycles; Matrix isolation; Photochemistry; Quantum chemical calculations

Indexed keywords

2H IMIDAZOL 2 YLIDENE; IMIDAZOLE DERIVATIVE; UNCLASSIFIED DRUG;

EID: 0032964390     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1521-3765(19990503)5:5<1590::aid-chem1590>3.0.co;2-6     Document Type: Article
Times cited : (36)

References (22)
  • 10
    • 0347553328 scopus 로고    scopus 로고
    • note
    • All stated energies, except for MP4 single point calculations, include the zero-point vibrational energies.
  • 14
  • 15
    • 84985560470 scopus 로고
    • b) G. Maier, H. P. Reisenauer, Angew. Chem. 1986, 98, 829-831; Angew. Chem. Int. Ed. Engl. 1986, 25, 819-822.
    • (1986) Angew. Chem. Int. Ed. Engl. , vol.25 , pp. 819-822
  • 18
    • 0347553327 scopus 로고    scopus 로고
    • note
    • The basis set used for the calculation of the complex 2·Xe (LANL2DZ) leads to a large deviation of the calculated structure of 2 compared to the calculations performed with a 6-311 + G(d,p) basis set (e.g. the N-C-N angle varies from 135.5° for the LANL2DZ basis set to 145.5° for the 6-311 + G(d,p) basis set).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.