Normal vibrational analysis of a trans-planar syndiotactic polystyrene chain

被引：48

作者：

Torres, F. Javier

Civalleri, Bartolomeo

Pisani, Cesare

Musto, Pellegrino

Albunia, Alexandra R.

Guerra, Gaetano

机构：

[1] Univ Turin, Dipartimento Chim, IFM, I-10125 Turin, Italy

[2] Univ Turin, NIS, Ctr Excellence, I-10125 Turin, Italy

[3] Natl Res Council Italy, Inst Chem & Technol Polymers, I-80078 Naples, Italy

[4] Univ Salerno, Dipartimento Chim, I-84084 Fisciano, SA, Italy

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2007年 / 111卷 / 23期

关键词：

D O I：

10.1021/jp072257q

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The full vibrational spectra of alpha and beta crystalline phases of syndiotactic polystyrene (sPS), that is, phases presenting the trans-planar conformation, have been experimentally determined and compared with that calculated at the B3LYP/6-31G(d,p) level of theory for an infinite trans-planar chain. The normal vibrational analysis of most representative modes of the periodic model allowed us to give a general description of each one, which was further confirmed by the direct inspection of mode animations. An assignment of the different modes was performed in terms of frequency, relative intensity, and direction of the transition-moment vector of the observed IR peaks as well as Raman vibrational frequencies.

引用

页码：6327 / 6335

页数：9

共 50 条

[41] Evaluation of thermal stability of syndiotactic polystyrene/toluene complex by spectroscopic analysis
Saitoh, A
Amutharani, D
Yamamoto, Y
Tsujita, Y
Yoshimizu, H
DESALINATION, 2002, 148 (1-3) : 353 - 357
[42] A STUDY ON THE THERMAL-DEGRADATION KINETICS OF SYNDIOTACTIC POLYSTYRENE BY THERMOGRAVIMETRIC ANALYSIS
RAVANETTI, GP
ZINI, M
THERMOCHIMICA ACTA, 1992, 207 : 53 - 64
[43] Vibrational analysis of trans-azobenzene
Armstrong, DR
Clarkson, J
Smith, WE
JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (51): : 17825 - 17831
[44] Perpendicular chain axis orientation in s-PS films: Achievement by guest-induced clathrate formation and maintenance after transitions toward helical and trans-planar polymorphic forms
Rizzo, P
Della Guardia, S
Guerra, G
MACROMOLECULES, 2004, 37 (21) : 8043 - 8049
[45] VIBRATIONAL ANALYSIS OF CHAIN MOLECULES
DEEDS, WE
PHYSICAL REVIEW, 1952, 85 (01): : 160 - 160
[46] BIS[4-(2,6-DIMETHYLPHENYLIMINOMETHYL)-5-PYRAZOLETHIOLATO]NICKEL(II) COMPLEXES WITH AN UNUSUAL TRANS-PLANAR STRUCTURE
TOFTLUND, H
NIVOROZHKIN, AL
LACOUR, A
ADHIKARY, B
MURRAY, KS
FALLON, GD
NIVOROZHKIN, LE
INORGANICA CHIMICA ACTA, 1995, 228 (02) : 237 - 241
[47] A dynamics study of the A-chain of ricin by terahertz vibrational calculation and normal modes analysis
Zhang, Hailiang
Zukowski, Eli
Balu, Radhakrishnan
Gregurick, Susan K.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2009, 27 (05): : 655 - 663
[48] NORMAL VIBRATIONAL ANALYSIS OF BENZENE
PAINTER, PC
KOENIG, JL
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1977, 33 (11) : 1019 - 1024
[49] Raman vibrational studies of syndiotactic polystyrene .2. Use of the fundamental nu(1) vibrational mode as a quantitative measure of crystallinity within isotropic material
Kellar, EJC
Evens, AM
Knowles, J
Galiotis, C
Andrews, EH
MACROMOLECULES, 1997, 30 (08) : 2400 - 2407
[50] PHOSPHORESCENCE MICROWAVE DOUBLE-RESONANCE STUDIES ON THE SHARP PHOSPHORESCENCE SPECTRUM OF BENZIL IN A METHYLCYCLOHEXANE MATRIX - EVIDENCE FOR THE TRANS-PLANAR TRIPLET STRUCTURE
ASANO, K
AITA, S
AZUMI, T
JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (23): : 5538 - 5541

← 1 2 3 4 5 →