!"#$%&'()*+,-./0123452 No. 13

67 20 8 10 9

!!""##$$%%&&''(())**++,,--..//0011223344..//00

!" #" $%&'()&*A01+," " " "

-./01" Molecular structure of jet-cooled thioanisole

studied by laser-induced fluorescence spectroscopy and ab

initio calculations: Planar and/or perpendicular

conformation?"

231Mariko Nagasaka-Hoshino, Tasuku Isozaki, Tadashi

Suzuki, Teijiro Ichimura, Susumu Kawauchi

45671Chem. Phys. Lett. 457, 58–61 (2007)

89:;<=>?@ABCDEFGHIJKLMN

>OPQRSTU8VWXWYZ[\]EY^_S`

aSMNbL?@ASRcdcefgh>ibjK'

kPlmDEnoYp\]qOE[1-3]rAsh>FG

HIJotquvwW=Bxyz{^_S`aLA|

}~�����o�K�����EnoBD�K��

t�[4]ruvwW=S OB S�JK?@t���uv

wW=$C6H5�SCH3,�L^C(sp2)�S ��S���

�K~y���o���S�QS���b�Sm�Y

��c]qOErtRt� >¡¢^)-£¤B¥O

q¦P§¨c]qOEK�RR©\ª^«MN`a}

~�¬MN��Sm�KQOqL­-Y®OqOEr

_n�¯ L^°±²³´µ¶·¸¹K}ºE9W»

W¼�½¾I¾¿oÀJÁ£¤B¥Oq��uvw

W=SIJ`a}~�gJ`aKQOq§¨BÃÄ�r

°±²³´µ¶·¸¹�9W»W¼�½¾��ÅÆ

Ƕ=}~�IȽ¾$DF,ÅÆǶ=BÉNt�r

�ʳUËUÌB��tqÍ\]� DF ÅÆǶ=

$Î 1,ÏKL 0-0ÐÑKÒÓDEÔÕSÔOËUÌ

eÖU×UØÙÚÛKÒÓDEËUÌSÜK^ÝÞß

àáKâãhÔOiäh>ËUÌ$191, 330 cm-1,Y

åÉc]�ruvwW=S�æoâãDEo^��u

vwW=������EnoBÔP��tqOEr

ÀJÁ£¤B¥Oq��uvwW=S`a«çÁ

BÃÄ�onè B3LYP/cc-pVTZ}~�MP2/cc-pVTZ

�L^CsÒéKêDE���S`aYëì=íWhK

«�MN��ESKÒt MP2/6-311G(d,p)�L���

Y«MNo>Ä�$Î 2,r_]î]S«çÁ`aB¥

OqÚÛߣ¤BÃÄ�onè^ÝÞßàáK�\©

]E SCH3AKïðDEÚÛ$15 o (CSC)^Î 2,S

ÞßY`aK~Äq�>EnoYñ\Ro>Ä�rn

]\SÝÞßÚÛL^IJ`aSòOBóôKõöt

qOEoZ[\]ErDF ÅÆǶ=o£¤�æBâ

ã÷øt�onè^����SùÅÆǶ=SÚÛ`

aB#úKûü�kEnoY©RÄ�$Î 1(b)(c),r

t�YÄq^��uvwW=S«MN`aL����

�Eo�-t�rý�^þ S£¤ÿ¿B¥OqÀJ

Á£¤BÃÄ��æ^MP2 £¤K}Oq�

6-311G(2df,2pd), 6-311G(2d,2p), aug-cc-pVTZ S~ >

dO9Ö=SA|!ßY"#��EnoY©RÄ�r

$zS�æ}~�³´µ¶·¸B� %[�¡¢K

}OqÅÆǶ=S%ÁY&\]>RÄ�noR\^

'(Ï�L¬MN��$���,Lm�t>O^�t

PL)*K+O,-U;.=�tR>OoZ[\]Er

/¥.0

[1] T. Isozaki et al., J. Chem. Phys., 126, 214304-11 (2007).

[2] H. Iga et al., J. Phys. Chem. A, 111, 5981-5987 (2007).

[3] T. Isozaki et al., Chem. Phys. Lett., 449, 63-66 (2007).

[4] R. Matsumoto et al., J. Mol. Struct., 735-736, 153

(2005).

Î 11(a) DF ÅÆǶ=oÀJÁ£¤S�æ$��

�(b) MP2/cc-pVTZ, (c) B3LYP/cc-pVTZ o���(d)

MP2/6-311G(d,p),r

Î 21ÀJÁ£¤K~E�æ$MP2/cc-pVTZ – �,

B3LYP/cc-pVTZ �!�, MP2/6-311+G(d,p) �"�,r

1

!"#$%&'()*+,-./0123452 No. 13

67 20 8 10 9

!!""##$$%%&&''(())**++,,--..//00112233445566778 !!

!"#$ %&'()*'+,-./

0123$ %&'()*'+45./

6 7 8 9 : "Heterodyne-Detected Electronic Sum

Frequency Generation: 'Up' versus 'Down' Alignment of

Interfacial Molecules"

;.:Shoichi Yamaguchi and Tahei Tahara

<=>?:J. Chem. Phys. 129, 101102 (2008)

@A'+BCDEFGHIBJKLMNOPQRS

TUT,VWXPYZ[\T]E^_`abcdef

gBhWB@AijkXLMNOBPQRlmn (2n)

ophqKrstKEdut]ZvdcwxZEeB

ZyzcL@AZvdcXwxKEd{`|}~eL

�d�1&Z��dcdefMNOPQR,VX@A

B����(,���B��Z���E��`��L

@A���B���@AB��B��Z��c�bc

��K�efJK�L ¡¢£¤¥¦%SHG/�§¨

�©ª«¬­¤¥¦%VSFG/XL@AB,V®�Z

¯°±�²³cdef µ¶Z·DXLSHG`¸¹Z

º»¼?<½¾�¤¿ÀNK@AB��ÁÂ]Ãt`

��e��¬­¤¥¦%ESFG/,VW`�ÄzÅf

ESFG � SHG B¼?ÆÇXÈZ! (2)!2Z¾ÉÊef

Ëy{BÌÍZEeBXL¥¦Êe¼?VBÆÇ`Î

BÏÏ®�ÊeLdÐÑeÒÓÔÕÖ×ØK�eÅb

K�efgB�Ù®�Z¹¹ÚEd (2)BÛÜ^ÝXL

,�ÞßZàdcB��`áâKdef,�BãäB

ßÙ`! (2)!2 B®�åæ¹Úç�Êeg�X���K

�}L (2)BÛÜ^ÝB®�oèéK�ef@AZvd

c,�oãäêëÚ`ßdcde¹�d�g�XL@

AB��q��`��ÊeìíEî�K�eoLÎB

��XïYB ESFG� SHGKX~eg�oKÙE¹

�ÅfðñB67K·DXL@A,�BßÙ`#9ò

óZôÊ (2)BFõ�öõB��ÁÂ]Ãt`��e

÷bcBhWøùúxÔÕÖ×Ø ESFG%HD-ESFG/

`ûÅZü¥zLýþÿ sÁ@AB,�BãäBß

ÙB��Z!�zÅf

"#�zc$%&' sÁ�(ãZÁ)Ö*TÃz

Å p-nitroaniline%PNA/B+,�,-äB./`�

dÅ�ÙB (2)ÁÂ]ÃtBFõ�öõ`0 1(a)Zô

ÊfFõX,12LöõXy32BuÖ4R`ôzL

#V�PÈ5(¡V�È5B¡OPQRV�67�8

9zÅ:;�E�cdef0 1(b)XL<CZzc~Ú

³Å&' sÁ�(ãB N,N'-diethyl-p-nitroaniline

%DEPNA/B (2)ÁÂ]ÃtK�ef0 1(a)�(b)`¾

=Êe�L��È5B)T]¤¿B>dX?ZzcL

PNA� DEPNAB (2)XÎB@?oAyK�efg³

XL sÁ�(ãKB PNA� DEPNABÞßoBß

ÙK�eÅbK�efCV SHG ®�B:;�L,�

D,�nB DFT )EB:;`9ÐFc±�Êeg�

ZG�cL sÁ�(ãKB,�ÞßZàdc0 1(c)

ZH°G�E:6`~eg�oØIef

" 1.$ (a) PNA�(b) DEPNAB (2)ÁÂ]ÃtfJQXFõKL

§QXöõ`5Êf(c) sÁ�(ãB PNA� DEPNABË

yÞßBKL0f (2)ÁÂ]ÃtBMNB@?XL,�Bãä

BßÙ`5zcdef

2

!"#$%&'()*+,-./0123452 No. 13

67 20 8 10 9

!!""##$$%%&&&&''(())**++,,--..//0011223344%%&&55**6677**8899--::;;<<

!" #" $%&'

!"#$ %&'(A02)*'+,-./

0123$ %&'(A02)*'+45./

6789$ %:;<=;(A03>?'+45./

@ABCD "Ultrafast Pump-Probe Study of Primary

Photoreaction Dynamics in pharaonis Halorhodopsin:

Halide-Ion Dependence and Isomerization Dynamics"

E.DTakumi Nakamura, Satoshi Takeuchi, Mikihiko

Shibata, Makoto Demura, Hideki Kandori, and Tahei

Tahara

FGHIDJ. Phys. Chem. B, 112, 12795-12800 (2008)

JKLMNOPQRQSTUVWXYZ[\\]S

^Q(HR)_ abcdeZfghijklm Cl-noO

Q]Upqrnst`JuvmwZfghijx

all-trans yz{ 13-cis y|x}~�������iT

�� Cl-nRQSYZ��xJ}~���_ ���d

� 1(a)m�UpR�Q^�j��jmw�&���V

�p��x��jmw��`J��mw�

Franck-Condon��|Tuv��p� 1~0.3psd��

~ S1��T���~ S1�����YZ���~ S1�

�z{_ 2~1.5 ps d����x all-transyT 13-cisy

���YZ�`���~ S1��_!k ¡mw� 3~7

psd all-transyx����|T¢£YZ�

�p`HR_ Cl-¤¥d_�¦ Br-`I-§RQSYZ�

T�¨{�V©Z�S\�Qª«Up^¬­M�x N

1®T[\¯QOPQ°x±²³´_`all-trans ym

µ©VMN¶(pHR-Cl-)`·N¶(pHR-Br-)`¸¹N¶

(pHR-I-)xºm»¦�Z�T�¼½¾¿ÀÁxÂÃz

{�Ä��V©Z [3]�wÅVJ}~�ÆOhÇÈÉ

mÊUV�x[\¯QOPQxË©�ÌxwÍmÎÏ

nÐÑZzmÒÓ�sp�Z�ÔÕÖ×_`pHR-Cl-`

pHR-Br- pHR-I-mةVٰ,�X 30fsxRQS(S

\iÚ,JnÛ©`J}~���ÆOhÇÈÉx[\

¯QOPQÜÝ~nÞß`àxÂÃm�á©VJ}~

�âãäåxR�Q^�j��jmØ©Væ@Up�

� 2m[\\]S^Qx S1 SnÀÁçèxRQS(

S\iÚéIn�Up�éI_` 1~50 fs xêtë�

��,T` 2` 3 xìØxíî�,z{�ZÙ°ï�

n�Up�}~�xÙðñ 2 _ pHR-Cl-(1.4 ps)`

pHR-Br-(1.6 ps)`pHR-I- (2.2 ps)xºm<�¦�Z�T

�òó��p���_`^¬­M�T[\¯QOPQ

°x±²³´�»©T}~�ôõ�ö©�Tn�ÄU

V©Z��p`13-cis yx��_÷bxÕøéIxù

úû�,TUVüý��p�`�x�,x»õx�þ

z{}~�Áÿ_ pHR-Cl-`pHR-Br-`pHR-I-xºm<

�¦�Z�T�òó��p� !z{"{�p}~�

ôõTÁÿx[\¯QOPQÜÝ~n� 1(a)x��j

m�á©V#$YZ�T_%U©��&�{`

Landau-Zener x'w�}~�ôõ�ô©§x(Ì

13-cis yx��Áÿ�)¦�ZT*+��Z�` !

ÂÃ_,§}~�xö© pHR-I-d,§}~�Áÿ�)

¦�Z�Tn�ÄUV©Zz{deZ�à�dÖ×_`

oÈ��P\]S^QxJ}~���d-.��V©

Z/0l��jn12m� 1(b)x��jn-.Up�

}~�ôõ_R�Q^�j34`}~�Áÿ_567

8dx,9:mwÅVà�;�<�Zxd`ÔÕx

!ÂÃn=>?¦�@d�Z�

A'+_ A02 Bx01CjiST A03 Bx67C

jiSxDE'+d"{�p§xdeZ�

�1. [\\]S^QJ}~�âãäåxR�Q^�j�

�jF(a)���dx��jF(b)ÔÕ-.Up��jF

1.0

0.8

0.6

0.4

0.2

0.0

Norm

aliz

ed !

O.D

.

3020100

Delay Time / ps

"pr

= 490 nm

pHR-Cl-

pHR-Br-

pHR-I-

�2. [\\]S^QxS1 SnÀÁçèxRQS(S\iÚ

éIF

G´AH

[1] T. Arlt et al, Chem. Phys. Lett. 241, 559-565 (1995).

[2] F. Peters et al, Chem. Phys. 323, 109-116 (2006).

[3] M. Shibata et al, Biochemistry. 44, 12279-12286 (2005).

3

!"#$%&'()*+,-./0123452 No. 13

67 20 8 10 9

"A long-lived M-like state of phoborhodopsin

that mimics the active state"

Yuki Sudo, Tatsuya Nishihori, Masayuki Iwamoto,

Kazumi Shimono, and Naoki Kamo

Biophys. J. 95, 753-760 (2008)

"Structural changes in the O-decay accelerated

mutants of pharaonis phoborhodopsin"

Yuki Sudo, Yuji Furutani, Masayuki Iwamoto, Naoki

Kamo, and Hideki Kandori

Biochemistry 47, 2866-2874 (2008)

” ”

” ”

!

—

!

—

[1] , 46, 330-336 (2006).

[2] B. Yan, T. Takahashi, R. Johnson and J. L. Spudich,

Biochemistry 30, 10686-10692 (1991).

[3] Y. Sudo, M. Yamabi, S. Kato, C. Hasegawa, M.

Iwamoto, K. Shimono and N. Kamo, J. Mol. Biol. 357,

1274-1282 (2006).

[4] M. Iwamoto, Y. Sudo, K. Shimono, T. Araiso and N.

Kamo, Biophys. J. 88. 1215-1223 (2005).

.

1673cm-1 O

1. M pHtrII a

5!M b

4

!"#$%&'()*+,-./0123452 No. 13

67 20 8 10 9

!!""##$$%%&&''(())**++,,--..//0011

2233 4455 **667 !!""##$$%%&&''(())**++,,--..//0011223344

!"#$ %&'(A02)*+,$ $ $ $

!-./0%A02)*+,1'23456789

:;<=>'2?@A !"#$%&'&()*+,-

./0&123456789:2;<=>)*?@ABCD

EFG&1HI;<JKLMNO2PQR)STUVW

LMNOXAYZ2[\]I^&1HI2_C`)ab

@A&1342cdef2&M)ghi@jgklmn

opUVqLMrstu2vw)*?@xiyUVNO

z{|A}FA&1HIz~������pU@b+��

;<RnS�z;<JKOn���@b+W>

���X�U�z!"#���:����n�bV$

%&'&()*?@A���2&12K�56789:A

34�]Aa*�/0�3)��+N #;<n¡?@

gVW���2¢V+£¤2¥¦X§¨2©a|z{+W>

> ª«¬�6­®��¯°±X ²³´ µN¶·¸�©�@

¹yUAº2(»�¯¼½¾¿ÀXÁÂ2ÃÄnÅi@

gVW���XÆÇ^ÈÉÊËÌz2ÍÎÏÐÑÒ(&

(n¡bA/0ÓÔ±2Ò(nXÕi@$%&'Ö×

�+�©)CØ�VWpy)Ò(ÙÚ2ÛÜ�Ý�AÞÀ

1ßGAà¿·�á­Ð)��+f°#'â2ãäA�

2¯°±�(K�åAK�æ¼ç�z2è1éênë

@ìíîïÑz¯¼ðñЭ¿Àn���A©ãò�VW�

2;<�ógO©k|A�2NZ/0)ôb@Dô2ðñ

Э2¿À�õ$öA÷øôùôúûü#öA/0�3)

��+ýþ#kÿ�bò �!|"#yUVW���X

Ò(56789:2K�$%&'())*�Vc+k,

-n¡.�©)*?@A/0Ó/±�01�+$%©uC

[�uÕ+$%�©�)ìøîïÑ©æ2�+�©n3�A

�2ò )e)nô4VW>

í5ÍÎÏÐÑ62!���:(X"bÛÜ�Ý�7Ì

n�ôViA(K�28)9:2ÞÀ;<ÙÚnï=�

�­Ð)K��Aº2$%>?nÖ×zg+W�UXbh

T@2Àg÷ÞÀún,$%zÖ×�+�©).A�A

@$BCÀ2Ö×=©DTU+W���X í5ÍÎÏÐÑ

��:n>upE+DF2GõH(�IáÐJK9LMN

nOP�Aýþ#)ÐKð�Q�2$%&'RST5> UVW©X

YZGSí5[\]²Wn,^�VÆÇK�¯_$%È�`­

ð^ðñ�a&()*?@Aè1K�ÙÚ&12@$B

CÀÖ×2;<n?b�VW>

�.&12ÞÀc.éê$%Xa*º:îïÑz{+

ViA�U*|�bÍÎÏÐÑËÌzd¡�+efg/0

)��@XA(K�)*?@»�pUV@$BCÀ©/

02�hnijkl+�©�Y�+Wº�zA���Xï

=��­Ðk@2Àg©/0)m.&1234�]÷/0

noú©2p�nkl+Vi)ANZ#kefg/0)

a4+@$BCÀ2Ö×n¡?VWí5[=®ñqrQ­sq

tJ­2&1�ðñЭ¿ÀzXu$:ËÌSv55wx55>

yz[íW29:2ï=��­ÐÞÀ�/0å�{|)Ö×p

U+�©n}b~�VW�U©°1]I��ãä©2��

öyAðñЭ2��N©P�N©2��njgÂ�]pE

+������ÞÀ�ðñЭ¿Àn���+�z/0

�d¡�+�©n3�VWæ�Ar:�:��Q­2(�(

]zX�(]$%÷í�v>�Vú)�l@jM)�b 5�v>�V�

Gz@$BCÀ�01�+�©n,-#)3�AÞÀ2

ï=��­:�0�Vå)r::��Q­X�(]�+�

©n{yö)�VWpy)X~�A�2(�(])ab@

��$%n��k�y �íÙÚ2@$BCÀn»�AÖ×

�+�©)*?@A(K�å)K�ÙÚ&1���)3

4n��@bÂ�12Ö×)�CØ�@b+W>

LMNO2PQR)STU+�©XA&1HI&M2

��;<R)©?@Xghi@��k�©z{+W���

�LMNO2PQR)STUV�©XA�2�Y�VR

�©A å2pyk+¡¢£2fb`¤n3��2z{+W

���)©?@XA¥F2¦æ§&1HIJK¨P¨)

©Â.U�bP¨)k?VWªõ�@;<n¡?@�V«

öy�¬öy2a­bn®�¯#VbW

5

!"#$%&'()*+,-./0123452 No. 13

67 20 8 10 9

!"#!"# $ %&'()*!+,-.$ %&'()*!+,-.

! "#$%&'(A02)*! ! ! !

+,-./0"TiO2*1234567894!:5

;<=>?@AB"CD#EFGHIJKLM9N4

!:C67OPQRSTU 1 EV8N4TWXYZ

TiO2 [\E]^_`abcdefY"ghij 1*=

kld TiO2mno5p6YL"ghij 2*=mnE

WqYLM9D`ErqYL-st-Tuv^w8

"ghij3*NxyOz/z{|RC}~�`TTiO2

4!:ErqJ�9a=4!:��C��d�YG�

�89N}~C��1=]^_`TmnE��Ybc

aC���T��89wa"ghij 2C���-*

���=4]^_`T}~mnEWqYZD`���

�GrqJ�9wa"ghij 3C���-*5;9N

TiO24!:Cmn1��d�G=Jo�o���d�

�YLM9N� }~xy�`5;¡L¢=rq89

£¤d¥¦§¨vd©�91ª5;9N4!:T�<

«¬���-89Z­E1=®C�¯�£¤Exy�

`TrqJ�K§�MC°±! ²YL²K1�³�C

°±! ´µ1¶·¸¹º»¼C«>aYL=wK½C

¾E¿¦�¯aYLM9N

U 1! 4!:C67OPQRS.

»¼CÀ­ÁaYL1=ÂÃC4!:TÄÅYZÆ

ÇÈ!:T7ÉYL=ÊË$CÌÍjÎzÏÐÑÒ5

%Ó89waEÔ&T�GNwKo5ÕÖ×5ØÙK

LvZ�Ú»¼1=TiO2mnE}~T'ÛÜqYL%

Ó89¢C5;¡ZNÃÝEHI894!:1Þ½°

Cßà��TIML}~TrqYL7É89N'ÛÜ

qE�¡L7É89wa1�MN¶»¼51=«áâ

�4!:7Éã5;94_qãTIML TiO2 mnE

äÉYZ}~xy�`TjÎzÏÐÑÒ5%ÓYZN

'ÛÜqTå�M!:ÆÇÈC7ÉaÐÑ%Ó1=!

:»¼l°½æçâE覽KLM9Noéê­Z§

°<C»¼éaM¯CE=(ëìí"îïðñ 1 ò

f*(óôõö÷"»¼Døl*(% "»¼ùml*

dú 102 û!:üý "2008 ò 9 ! 23-26 "E#$

%%s5&'*5()emYZ*4_qãE�<}~

Tø+YZ+,-./0ÆÇÈ!:C AFM ),-d

./0Í5*1*Cem-E2§KZN

U 2E3`4ÔÐÑÒ"AFM*TIML%ÓYZ�

�5TV²¯NTiO2mnCghij"678C��*

E9¡L�:C}~xy�`"�;:< nm*d=>

YLM9NwK1'ÛÜq57ÉYZÆÇÈ!:a1

o¡ZG©�9�?5;<=Ã!:TÄÅYZ+@7

ÉCA,BTC-EVYLM9N

DECeFaYL=}~-TiO2 45ñGJK9_`

p6THÈI0jÎzÏÐÑÒJÌÍKLM3`4Ô

ÐÑÒ�®TIML%Ó89.¸5;9NJ½E=!

:NO»¼E1ÔYLM9P6QRS .aC;Mé

5»¼TÔTÀ­9NUV-+@4E1Z½GÔTHI

YZxyjÎzÏ%ÓE�ML´dW1ÕÖÊ�CX

YÔTZYLM9NÊË$CÌÍjÎzÏXYT!:

»¼E�I89wa5=[µC}~xy�`CBB%

ÓTÀ­9wad%MEñG5v9N

U 2! }~xy�`T4_qYZ TiO2\�]nC3

`4ÔÐÑÒ^5.! ^5{|R_500`500 nm2.

6