Rubbed Polyimide Surface Studied by Sum-Frequency Vibrational Spectroscopy Doseok Kim* Department of Physics, Sogang University, Seoul, 121-742 Korea Masahito Oh-e and Y. R. Shen Department of Physics, University of California at Berkeley, Berkeley, California 94720 Received January 17, 2001; Revised Manuscript Received July 31, 2001 ABSTRACT: Surface-specific sum-frequency vibrational spectroscopy was used to study the structure of a rubbed polyimide surface. The spectra showed that the polymer backbones were well aligned by rubbing along the rubbing direction, and the imide cores were inclined toward the surface plane with a broad distribution. Quantitative analysis yields an approximate orientational distribution function for the aligned imide cores and the backbones. Introduction Mechanical rubbing of polymer-coated substrates is commonly used to homogeneously align liquid crystal (LC) films in the LC display industry. 1 Presumably, rubbing aligns the surface polymer chains, which in turn aligns the LC monolayer adsorbed on the polymer surface. The latter then determines the LC orientation and alignment throughout the bulk film through cor- relation of LC molecules. 2 Detailed understanding of the alignment mechanism would help the design of LC display cells. Thus many studies of the problem using various techniques such as infrared spectroscopy, 3-5 optical retardation, 1,6 ellipsometry, 7 scanning force microscopy, 8-10 X-ray scattering, 11 and X-ray spectros- copy 12-15 have been reported in the literature. Recently infrared-visible sum-frequency vibrational spectroscopy has been demonstrated to be an effective probe for polymer surfaces. 16-18 It has the advantage of being surface-specific and sensitive to the surface monolayer. Application of the technique to a rubbed surface of poly- (vinyl alcohol) (PVA) was able to yield quantitative information about the orientation and alignment of PVA chains at the surface. 17 In the LC display industry, however, polyimide (PI) is the preferred polymeric material for LC alignment. It is therefore important to carry out a similar study on PI. We present here the results of such a study. There exist already many reports on investigation of rubbed PI. 3-15 In particular, surface second harmonic generation (SHG) which is a special case of sum- frequency generation (SFG) has been used to study side- chain PI. 19,20 In these experiments, however, SHG is mainly generated from the side chains of the polymer, and does not yield information about rubbing-induced alignment of the main chains. Yet it is the latter that is responsible for the surface-induced homogeneous alignment of LC films. With SFG spectroscopy, we were able to measure the anisotropy induced by rubbing in the vibrational spectrum of CO groups associated with the imide rings of PI at the surface. The results allowed us to deduce an approximate orientational distribution of the imide rings, and hence of the PI main chains, at the rubbed surface. Experimental Section The polymide used in our experiment was poly(n-alkylpy- romelitic imide) [-N-(CO)2-C6H2-(CO)2-N-(CH2)n], with n ) 6 (P6). Its chemical structure is shown in Figure 1a. The polymer film was prepared by spin-coating the polyamic precursor onto a fused silica plate and letting the solvent evaporate for 1 h at 60 °C. Subsequently, the sample was baked at 200 °C for 2 h and cured at 300 °C for 5 h. The film thickness determined from atomic force microscopic measure- ment was about 40 nm. The PI film was then rubbed with velvet cloth. The rubbing strength used for the sample was at the saturation level, such that further rubbing would not enhance the observed anisotropy in the SFG spectra. The experimental setup for SFG has been described else- where. 21 In brief, a pulsed Nd:YAG laser system was used to generate a visible beam at 532 nm and a tunable IR beam around 5.9 µm, both having a 15 ps pulse width and a 20 Hz repetition rate. The two beams coming in from the air side overlapped at the sample surface, and the SFG output was detected in the reflection direction. Theory Theoretically, the surface SFG signal intensity gener- ated by the input fields with intensities I 1 (ω vis ) and I 2 (ω ir ) can be expressed by the following equation 17 where SF is the angle of the sum-frequency output with respect to the surface normal. The effective nonlinearity eff (2) takes the form of with e ˆ(ω) being the unit polarization vector and L 6(ω) the tensorial Fresnel factor at frequency ω. 21 The nonlinear susceptibility 6 (2) can be written as Current Address: Hitachi, Ltd., Displays, 3300 Hayano, Mobara-shi, Chiba-ken, 297-8622 Japan. I(ω SF ) ) 8π 3 ω SF 2 sec 2 SF c 3 | eff (2) | 2 I 1 (ω vis )I 2 (ω ir ) (1) eff (2) ) [e ˆ(ω SF )L 6(ω SF )]6 (2) : [e ˆ(ω vis )L 6(ω vis )][e ˆ(ω ir )L 6(ω ir )] (2) 6 (2) ) 6 NR (2) + N s R6 (2) (Ω)f(Ω)dΩ (3) 9125 Macromolecules 2001, 34, 9125-9129 10.1021/ma0100908 CCC: $20.00 © 2001 American Chemical Society Published on Web 11/22/2001