Vibrational spectra and molecular dynamics of 1,2-di-(p-XC6H4)ethanes (X=Br, NO2)

被引：2
作者：
Kamalova, DI [1 ]
Petrova, SA [1 ]
Remizov, AB [1 ]
Skochilov, RA [1 ]
机构：
[1] Kazan VI Lenin State Univ, Kazan 420008, Russia
来源：
PECS 2001: PHOTON ECHO AND COHERENT SPECTROSCOPY | 2001年 / 4605卷
关键词：
infrared spectra; molecular dynamics; conformational equilibrium;
D O I：
10.1117/12.447997
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
Infrared absorption spectra and internal rotation of 1,2-di-(p-XC6H4)ethanes (X=Br, NO2) have been investigated. The magnitude of the barrier to internal rotation of 1,2-di-(p-bromophenyl)ethane has been estimated, The analysis of IR spectra of 1,2-di-(p-nitrophenyl)ethane in liquid and crystalline states and its solutions has allowed to make conclusion about the presence of the dynamic equilibrium of the trans and gauche conformations. The division of the absorption bands into components and the factor analysis have been used in the interpretation of the IR spectra. The enthalpy and entropy differences of the trans and gauche conformations have been determined and besides these values are discovered to be anomalous large as compared with ones which are usually observed for the conformational equilibria.
引用
收藏
页码：49 / 55
页数：7
相关论文
共 16 条
  • [1] Abraham R. J., 1974, INTERNAL ROTATION MO
  • [2] ASKADSKII AA, 1983, CHEM STRUCTURE PHYSI
  • [3] ELECTRIC DIPOLE MOMENTS AND CONFORMATIONS OF PP'-SUBSTITUTED BIBENZYLS AND PHENYL-SUBSTITUTED SUCCINONITRILES AS SOLUTES
    CHIU, KK
    HUANG, HH
    LIM, PKK
    [J]. JOURNAL OF THE CHEMICAL SOCIETY B-PHYSICAL ORGANIC, 1970, (02): : 304 - &
  • [4] DENISOV GS, 1981, OPT SPEKTROSK+, V51, P1118
  • [5] VIBRATIONAL SPECTROSCOPIC APPROACHES TO CONFORMATIONAL EQUILIBRIA AND KINETICS (IN CONDENSED MEDIA)
    FISHMAN, AI
    STOLOV, AA
    REMIZOV, AB
    [J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1993, 49 (10): : 1435 - 1479
  • [6] COMPENSATION EFFECT IN THE THERMODYNAMICS OF CONFORMATIONAL EQUILIBRIA
    FISHMAN, AI
    STOLOV, AA
    REMIZOV, AB
    [J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1990, 46 (07): : 1037 - 1043
  • [7] Gnevashev SG, 1997, ZH OBSHCH KHIM+, V67, P1381
  • [8] ON THE EXTRACTION OF SPECTRA OF COMPONENTS FROM SPECTRA OF MIXTURES - A DEVELOPMENT IN FACTOR THEORY .1.
    MULLER, A
    STEELE, D
    [J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1990, 46 (05): : 817 - 842
  • [9] Perrin D.D., 1996, PURIFICATION LAB CHE, V4
  • [10] RINKENBACH WH, 2000, J AM CHEM SOC, V5, P5041
12