Journal of Organometallic Chemistry 636 (2001) 164 – 171 www.elsevier.com/locate/jorganchem UV and Raman study of thermochromic phase transition in poly(di-n -hexylgermane) Sergey S. Bukalov a , Larissa A. Leites a , Irina V. Krylova b , Mikhail P. Egorov b, * a A.N. NesmeyanoInstitute of Organoelement Compounds, Scientific and Technical Center on Raman Spectroscopy, Russian Academy of Sciences, 28 Vailoa Street, 119991 Moscow, Russia b N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky Prosp., 117913 Moscow, Russia Received 23 April 2001; accepted 27 June 2001 Dedicated to Professor Dr Oleg Nefedov on the occasion of his 70th birthday Abstract The thermochromic phase transition of poly(di-n -hexylgermane) (1) was reinvestgated using low-molecular-weight (lmw ) and high-molecular-weight (hmw ) polymer samples. The equilibrium phase transition temperature T c of 1, determined by variable temperature Raman and UV spectroscopy as well as by DSC, was found to lie not in the interval from +15 to -10°C, as was reported previously, but in the region 45–55 °C, that is, very close to T c of the Si and Sn analogues. Thus, the phase behaviour of the polymetallanes [ n Hex 2 M] n ,M=Si, Ge, Sn is governed not by the nature of the main chain but by intermolecular interactions of the substituent groups. The nature of the order – disorder phase transition of 1 depends on the polymer molecular weight and the sample thermal history. Above T c , hmw polymer 1 exists as hexagonal columnar mesophase while lmw 1 is in amorphous state, both with disordered backbone. On cooling to room temperature, hmw polymer transforms to a crystalline modification with an all-anti conformation of the backbone and ordered hexyl groups, whereas the process of ordering of the main chain for lmw sample is more complicated. © 2001 Elsevier Science B.V. All rights reserved. Keywords: Polygermane; Phase transition; Raman; UV; DSC 1. Introduction Chemistry and physical chemistry of polydiorganyl- metallanes, whose macromolecules contain catenated homoatomic chains of Group 14 elements — silicon, germanium, and tin, are rapidly and dynamically devel- oping areas of modern organometallic chemistry. In this paper, it is pertinent to emphasise a fundamental contribution to this field made by pioneering papers of Nefedov and his co-workers in the early 1960s on the synthesis and properties of polysilanes and first polygermanes [1,2]. In 1964, Gilman et al. [3] reported the family of permethylated straight-chain polysilanes Me(SiMe 2 ) n - Me with n =2–8 along with their UV spectra. Surpris- ingly, the position of the absorption band, max , and the molar absorptivity were found to increase regularly with increasing chain length, in a manner typical for -conjugated systems. In 1966 Shorygin, Nefedov et al. [4] published analogous UV data for linear ho- moatomic chains consisting of SiR 2 , GeR 2 and SnR 2 units. They also observed a remarkable red shift of the lowest-energy absorption band with the chain lengthen- ing, the transition energy for a given chain length decreasing in the order Si, Ge, Sn. Moreover, these authors made an important suggestion that there is no principal difference between interaction of -bonds in these chain compounds and of -bonds in linear conju- gated polyenes, the degree of interaction between the chain units just increasing in the series CR 2 SiR 2 GeR 2 SnR 2 CHCH These first findings, along with some others published later (see, e.g. [5,6]), laid the foundation for the concept of conjugation, first reviewed by Pitt [7]. Corre- * Corresponding author. Tel.: +7-095-135-5309; fax: +7-095-135- 5308. E-mail address: mpe@cacr.ioc.ac.ru (M.P. Egorov). 0022-328X/01/$ - see front matter © 2001 Elsevier Science B.V. All rights reserved. PII: S0022-328X(01)01096-8