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1. 1- 4 Dichlorobenz
2. Naphthalene
以上2種各為何物?並想知道他們的性質 謝謝各位大大

2005-10-21 22:40:35 · 1 個解答 · 發問者 怡螢 2 in 科學 化學

1 個解答

1,4-Dichlorobenzene (1,4-二氯苯)     ChlorineNuclear Quadrupole Coupling Constantsin 1,4-Dichlorobenzene     Chlorine nqcc's in 1,4-dichlorobenzene were calculated on the B3P86/6-31G(3d,3p) optimized molecular structure.  The results are given in Table 1.  Structure parameters and atomic coordinates respectively are given in Tables 2 and 3.  Table 1.  Chlorine nqcc's in 1,4-Dichlorobenzene (MHz).      Calc.Expterimental    35ClXaa-72.51  Xbb39.27  Xcc33.23  ETA *-0.083     37ClXaa-57.14  Xbb30.95  Xcc26.19       * ETA = (Xbb - Xcc)/Xaa = (Xxx - Xyy)/Xzz.    Table 2. Structure parameters ropt (Å and degrees).CCl1.7332C(1)C(2)1.3896C(2)C(3)1.3884CH1.0832C(6)C(1)C(2)120.94C(1)C(2)C(3)119.53C(1)C(2)H(2)120.01  For comparison, the B3P86/6-31G(3d,3p) optimized molecular structure of benzene is CC = 1.3909 Å and CH = 1.0851 Å.    Table 3. Atomic coordinates, ropt (More figures are shown than are significant.)    a (Å)    b (Å)Cl±3.112446  0.0C±1.379191  0.0C±0.694220±1.209102H±1.243324±2.142804Naphthalene (萘,樟腦丸)  萘(naphthalene) 分子式為C10H8,為二個苯環相駢,故又名駢苯,俗稱為焦油腦,為白色片狀晶體,熔點80℃,是具有臭味且易揮發的白色晶體,不溶於水,但可溶解於酒精及乙醚(CH3CH2OCH2CH3)中,能燃燒但多煙,可製成萘丸,有殺蟲及防腐作用,也是製造藍靛染料的原料。

2005-10-22 05:36:55 · answer #1 · answered by Frank 7 · 0 0

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