메뉴 건너뛰기




Volumn 110, Issue 12, 2006, Pages 4169-4179

Conformational study of monomeric 2,3-butanediols by matrix-isolation infrared spectroscopy and DFT calculations

Author keywords

[No Author keywords available]

Indexed keywords

ANNEALING; CONFORMATIONS; HYDROGEN BONDS; INFRARED SPECTROSCOPY; MONOMERS; PROBABILITY DENSITY FUNCTION;

EID: 33645808728     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0572737     Document Type: Article
Times cited : (68)

References (56)
  • 24
    • 0003505419 scopus 로고    scopus 로고
    • The Gold Book, 2nd ed.; McNaught, A. D., Wilkinson, A., Eds.; Blackwell Science: London
    • IUPAC Compendium of Chemical Terminology, The Gold Book, 2nd ed.; McNaught, A. D., Wilkinson, A., Eds.; Blackwell Science: London, 1997.
    • (1997) IUPAC Compendium of Chemical Terminology
  • 45
    • 33645812464 scopus 로고    scopus 로고
    • note
    • -1. In cyanoacetic acid, the higher energy conformer was completely depopulated in a xenon matrix deposited at 15 K, whereas in methyl cyanoacetate, the population of the higher energy form was completely preserved in a xenon matrix deposited at 20 K. The only structural difference between the two compounds was the substitution of the hydrogen atom of the carboxyl group by the methyl group. For cyanoacetic acid, the compound with the lighter group undergoing rearrangement, it was only just possible to approach the conformational population characteristic of the gaseous phase at the lowest possible temperature of the matrix substrate (ca. 10 K) and using argon as the matrix gas. The above examples show that knowing the barriers to intramolecular rotation is extremely important when analyzing the conformational populations of matrix-isolated compound.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.