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Volumn 10, Issue 10, 1998, Pages 2241-2260

Vibrational states and optical transitions in hydrogen bonds

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001695425     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/10/10/008     Document Type: Article
Times cited : (29)

References (47)
  • 1
    • 11744354524 scopus 로고    scopus 로고
    • note
    • There are different ways to define a double Morse potential. The definition given here has been somewhat simplified for convenience.
  • 11
    • 0000544675 scopus 로고
    • and references therein
    • Novak A 1974 Struct. Bonding 18 177 and references therein
    • (1974) Struct. Bonding , vol.18 , pp. 177
    • Novak, A.1
  • 14
    • 11744376292 scopus 로고    scopus 로고
    • note
    • In connection with hydrogen bonds and double-well potentials, the term 'symmetric' is used with two different meanings and this may lead to some confusion. A double-well potential, in which both minima have the same value for the energy, is generally called a 'symmetric double-well potential'. On the other hand, in a 'symmetric hydrogen bond', the proton is situated in the middle between its two neighbours. Such a bond is represented by a single-minimum potential. Throughout this text the term 'symmetric hydrogen bond' is used in connection with a single-minimum potential, while 'symmetric' and 'non-symmetric' double-well potentials describe 'non-symmetric' hydrogen bonds.
  • 17
    • 11744318392 scopus 로고
    • Thesis Universität GH Paderborn
    • Schäferjohann V 1990 Thesis Universität GH Paderborn
    • (1990)
    • Schäferjohann, V.1
  • 18
    • 11744270977 scopus 로고    scopus 로고
    • note
    • Hydrogen bonds have been classified in reference [11], according to the bond length: R > 270 pm ('weak'), 260 pm < R < 270 pm ('intermediate'), R < 260 pm ('strong'). This nomenclature is occasionally adopted here, because it finds physical support in the present model.
  • 19
    • 11744309589 scopus 로고    scopus 로고
    • note
    • Negative mode-Grüneisen parameters are not only typical of O-H⋯O hydrogen bonds, but can also be found in other substances, e.g., the hydrogen halides (see references [20, 21]). For the interpretation, double-well potentials are also used in these cases [22].
  • 30
    • 11744346791 scopus 로고    scopus 로고
    • note
    • For asymmetric bonds, in which the proton is more closely connected to one of its neighbours, the use of these reduced masses is justified, but for the symmetric case, reduced masses, which take into account both neighbours, or even the bare proton and deuteron masses, may be more appropriate. However, this makes only a minor contribution and for the sake of uniformity the reduced masses, given in the text, have been used in all of the calculations.
  • 46
    • 11744376293 scopus 로고    scopus 로고
    • note
    • -1 has been assumed (figure 13).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.