An comprehensive understanding of the characteristics of the organic material tris-(8-hydroxyquinoline)aluminum(Alq

3

)is meaningful for organic light-emitting devices(OLEDs). Thin films of Alq

3

are among the most efficient electroluminescent molecular films known to date. Alq

3

samples were synthesized and purified. The purity of samples is up to 98.5%. The electronic and crystallographic structure of Alq

3

has been studied. The results of a joint experimental investigation based on a combination of X-ray diffraction(XRD)spectrum

hydrogen nuclear magnetic resonance(NMR)spectrum

infrared absorption(IRA)spectrum

mass(MS)spectrum

X-ray emission(XRE)spectrum and fluorescence spectrum of Alq

3

have been investigated. The analysis on NMR spectrum of Alq

3

shows that the coordinate interaction between Al

3+

and O ion is more intensive than that between Al

3+

and N ion. Al

3+

hasn't replaced H ion that suggests the Al-O bond is covalent but not ionic bond in Alq

3

molecule. There are still H

+

around O ion. Since there are six coordination bonds around Al

3+

O and N ions are both have strong binding force with Al

3+

. Therefore Alq

3

has two types of geometrical isomers

namely mer isomer and fac isomer. From the IRA spectrum of the Alq

3

the broad characteristic peak at 3417cm

-1

corresponding to OH

-

stretching vibration confirmed that the Al-O are coordinate not ionic bond. The prominent peaks which is the characteristic of the absorption vibration of the aromatic ring skeleton at 1588

1550

1467 and 1400cm

-1

suggests that the conjugate action of aromatic rings in molecule is very strong and all electron orbit of quinolinic rings are π bonding hybridizations. The disagreement between IRA spectrum of Alq

3

and HQ is excellent for indicating that there is a strong coordinate action which affect O bonding heavily between Al

3+

and O ions. From the MS spectrum the ratio of charge/mass of Alq

3

has been achieved. We prospect if a further cleavage occurred

a peaks of Alq

+

after losing a ligand from Alq

2

+

should locate at

m/e

=171. However

the peak was not observed indicating that the state of Alq

+

is difficult to exist. The IRE data shows that the K

α1

2

peaks have shifted comparing to Al due to the perturbation as the ligand gives to 2p electron of Al. The perturbation is related to coordination intensity. The shift of K

β

of Alq

3

mainly resulted from the chemical environment variation around Al atomics. It also relate to binding intensity and coordination number. The intensity of K

β

is lower than that of K

α

The wave length of K

β

is shorter than that of K α.The peak of K

β

shifted to lower energy(about 3.5eV)whereas the peak of K

α1

2

shifted to higher energy(0.3 and 1.6eV)comparing to Al. Surprisingly

a weak adjoint peak at 1537.5eV was observed. We ascribed it to the formation of the hybridization orbit among O

2

s

O

2

p

N

2

s

N

2

p and Al

3

p orbits. Fluorescence data confirmed the existence of a fluorescent species formed between Al ion and 8-hydroxyquinolinol.