X-ray absorption spectroscopy of liquid methanol microjets: Bulk electronic structure and hydrogen bonding network

被引：76

作者：

Wilson, KR

Cavalleri, M

Rude, BS

Schaller, RD

Catalano, T

Nilsson, A

Saykally, RJ ^{[1
]}

Pettersson, LGM

机构：

[1] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA

[2] Stockholm Univ, AlbaNova Univ Ctr, FYSIKUM, S-10691 Stockholm, Sweden

[3] Lawrence Berkeley Lab, Berkeley, CA 94720 USA

[4] Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2005年 / 109卷 / 20期

关键词：

D O I：

10.1021/jp049278u

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：

We have measured the X-ray absorption (XA) spectrum of liquid (298 K) methanol at the oxygen and carbon K edges. The 4a(1) orbital at the O K edge exhibits a pronounced sensitivity to the formation of intermolecular hydrogen bonds, with significant differences observed between the vapor and bulk spectra, whereas the C K edge reveals only subtle corresponding spectral changes. Comparison with DFT computed spectra of model methanol clusters indicates that the bulk liquid comprises long chains (n > 6) and rings of hydrogen-bonded monomers.

引用

页码：10194 / 10203

页数：10

共 46 条

[1] Direct SCF direct static-exchange calculations of electronic spectra [J].